data_1kzs_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 1kzs _Structure_validation_residue.Date_analyzed 2016-10-06 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 ' 37' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.407 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.206 0.527 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.433 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 13.4 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.228 0.537 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CZ3' HD12 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 47' ' ' TYR . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 46' ' ' ILE . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.389 0.614 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.417 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.306 0.574 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.306 0.574 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CH2' HD23 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.442 HD23 ' CH2' ' A' ' 38' ' ' TRP . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.52 HG21 ' N ' ' A' ' 47' ' ' TYR . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.52 ' N ' HG21 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 pt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.387 0.613 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 49' ' ' THR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.395 0.617 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.505 HD13 ' CE1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' HG21 ' A' ' 46' ' ' ILE . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 pt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.248 0.547 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.429 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.125 0.488 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.573 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.268 0.556 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HG21 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.472 HG13 ' N ' ' A' ' 38' ' ' TRP . 21.8 pt . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.689 0.757 . . . . 0.0 109.077 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.472 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.276 0.56 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.502 ' N ' HG21 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 pt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.344 0.593 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 6.6 t-20 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.422 ' HA ' ' CD2' ' A' ' 40' ' ' HIS . 12.6 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.224 0.535 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 7.9 m-70 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.41 HD13 HG22 ' A' ' 37' ' ' ILE . 17.4 pt . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.948 0.88 . . . . 0.0 108.783 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.416 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.594 ' CE2' ' HA ' ' A' ' 47' ' ' TYR . 8.3 p90 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.524 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.439 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.509 HG13 ' N ' ' A' ' 38' ' ' TRP . 26.5 pt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.892 0.854 . . . . 0.0 108.735 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.509 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.222 0.534 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 42' ' ' LEU . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.431 ' O ' ' HB2' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.497 ' O ' HG12 ' A' ' 37' ' ' ILE . 78.3 m-85 54.7 62.73 7.87 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -63.1 -13.1 33.32 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 O-C-N 123.996 1.524 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -60.83 -37.66 82.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.211 -0.93 . . . . 0.0 110.4 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.497 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.9 pt -67.13 -8.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.232 -0.917 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.407 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 -68.93 -42.01 77.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.4 81.47 1.74 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.422 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -129.99 68.86 81.41 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -46.21 -23.07 1.77 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 123.993 1.523 . . . . 0.0 110.682 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -55.04 -31.62 61.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.168 -0.957 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.6 pt -78.18 -2.74 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.112 -0.992 . . . . 0.0 110.462 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 -70.11 -43.81 70.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.79 -84.47 1.54 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.872 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 23.2 m-85 -124.63 154.19 70.03 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.474 ' HD2' ' HB3' ' A' ' 34' ' ' PHE . 48.4 Cg_endo -51.79 -19.85 8.66 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.913 1.481 . . . . 0.0 110.451 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -55.93 -33.51 64.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.0 110.321 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.4 pt -67.07 -19.52 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.409 ' CZ3' HD12 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.433 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.409 HD12 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.476 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.496 HG23 ' N ' ' A' ' 47' ' ' TYR . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.496 ' N ' HG23 ' A' ' 46' ' ' ILE . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -65.73 -41.79 91.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.71 141.03 7.72 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -69.63 142.12 91.16 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 110.163 . . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -49.39 -21.27 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.048 1.552 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -54.67 -36.33 64.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.909 . . . . 0.0 110.53 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 34' ' ' PHE . 10.2 pt -72.72 -12.25 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 110.106 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.417 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.417 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.443 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.418 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.443 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.438 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.08 -42.27 76.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.01 169.13 42.26 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.866 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.4 m-85 -66.24 142.12 97.67 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.206 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -48.49 -21.86 3.68 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.936 1.493 . . . . 0.0 110.542 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -57.38 -33.91 68.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.512 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.4 pt -71.0 -10.4 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.222 -0.924 . . . . 0.0 110.184 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 -71.06 -44.49 65.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.46 50.72 64.54 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.856 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.468 ' O ' HG12 ' A' ' 37' ' ' ILE . 61.8 m-85 -67.9 145.38 97.85 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.291 -0.88 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -49.31 -21.7 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.891 1.469 . . . . 0.0 110.558 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -55.31 -32.86 62.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.8 pt -70.92 -9.46 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.207 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.442 ' CH2' HD23 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.442 HD23 ' CH2' ' A' ' 38' ' ' TRP . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.502 ' O ' ' CG2' ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.52 HG21 ' N ' ' A' ' 47' ' ' TYR . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.52 ' N ' HG21 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -69.64 -42.25 74.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.74 -76.49 0.36 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.82 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -68.12 148.41 98.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 47.9 Cg_endo -49.43 -21.78 5.33 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.947 1.499 . . . . 0.0 110.438 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -49.94 -36.7 28.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 110.476 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.7 pt -73.51 -7.84 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.402 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.441 ' O ' ' HB ' ' A' ' 49' ' ' THR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.441 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 -69.65 -42.94 73.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.21 -50.41 0.06 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.947 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.3 m-85 -71.35 139.06 84.12 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.94 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -46.46 -23.52 2.21 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 123.998 1.525 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -52.85 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.7 pt -71.6 -10.91 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.165 -0.96 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.484 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.505 HD13 ' CE1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.484 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.526 ' CD2' HG21 ' A' ' 46' ' ' ILE . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.526 HG21 ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 -67.91 -41.36 82.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.43 34.92 91.25 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.81 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.56 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.1 m-85 -47.44 -51.03 46.38 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.92 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.56 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.0 Cg_endo -63.99 -9.34 18.84 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.692 1.364 . . . . 0.0 110.66 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 21.3 ttm-85 -60.32 -31.54 70.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.016 . . . . 0.0 109.899 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.0 pt -71.06 -14.39 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.36 -0.838 . . . . 0.0 110.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.429 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.424 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 -69.88 -44.85 68.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.7 -158.17 23.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.886 -1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.442 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 21.0 m-85 -127.54 67.81 72.84 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.878 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.455 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.4 Cg_endo -55.79 -16.02 14.42 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 123.926 1.487 . . . . 0.0 110.647 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -62.04 -34.42 76.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.615 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.514 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.2 pt -72.48 -12.91 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.158 -0.964 . . . . 0.0 110.204 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.573 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.565 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.428 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.491 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.477 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 -65.7 -42.55 91.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . -43.66 136.29 4.92 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.826 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -128.77 68.34 78.73 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.196 . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 46.6 Cg_endo -52.04 -19.46 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.876 1.461 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -52.87 -39.43 62.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.24 -0.912 . . . . 0.0 110.487 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.484 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.1 pt -74.22 -1.38 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.439 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.508 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.529 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.438 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.447 ' N ' HG21 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.438 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -72.07 -40.79 68.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 -91.5 0.68 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.893 -1.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -124.76 85.92 56.53 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.528 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 40.8 Cg_endo -70.86 -2.29 10.72 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 O-C-N 124.255 1.66 . . . . 0.0 110.8 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 31.3 ttp180 72.27 -0.64 3.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.298 -0.876 . . . . 0.0 110.092 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.528 ' CG2' ' HB2' ' A' ' 35' ' ' PRO . 21.8 pt -59.52 -34.93 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.149 -0.969 . . . . 0.0 109.077 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.472 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.459 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -67.38 -42.94 82.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.21 177.61 51.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.808 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.561 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.69 -50.49 51.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 0.0 110.746 . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.561 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 44.8 Cg_endo -64.19 -8.83 17.56 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.648 1.341 . . . . 0.0 110.788 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 27.6 tpt180 -61.35 -29.04 69.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.109 -0.994 . . . . 0.0 109.918 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.458 HG12 ' O ' ' A' ' 34' ' ' PHE . 17.0 pt -72.39 -6.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.226 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.507 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.567 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.502 ' N ' HG21 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -71.17 -41.89 69.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.51 38.26 57.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -130.54 63.79 70.85 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.461 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 47.7 Cg_endo -49.29 -21.8 5.0 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 123.943 1.497 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.65 -35.93 33.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.263 -0.898 . . . . 0.0 110.558 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.4 pt -77.38 -1.81 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 110.46 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 8.9 m-70 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.468 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 6.6 t-20 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.468 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 -68.54 -42.43 78.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.99 -51.33 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.855 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.551 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -44.52 -51.83 19.44 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 110.554 . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.551 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -67.17 -10.2 27.79 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.772 1.406 . . . . 0.0 110.741 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 22.9 tpt180 -61.14 -31.02 70.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.0 110.092 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.464 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.01 -10.28 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.422 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 7.9 m-70 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.423 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.496 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.423 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 -71.0 -44.65 65.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.11 -137.04 4.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.875 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.91 82.52 0.24 Allowed Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.214 -0.929 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.518 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 39.9 Cg_endo -75.91 3.56 5.97 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 O-C-N 124.24 1.652 . . . . 0.0 110.546 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.506 ' HA ' ' CD1' ' A' ' 38' ' ' TRP . 41.8 mtp180 67.33 4.25 3.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.405 -0.809 . . . . 0.0 110.492 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.518 ' CG2' ' HB2' ' A' ' 35' ' ' PRO . 17.4 pt -67.81 -30.46 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.158 -0.964 . . . . 0.0 108.783 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.506 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.405 ' CD1' ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.416 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.416 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -69.76 -42.04 74.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.99 -21.21 0.22 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.876 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.462 ' O ' HG12 ' A' ' 37' ' ' ILE . 17.4 m-85 -130.74 59.94 49.49 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -42.58 -26.52 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 124.032 1.543 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -50.62 -34.81 27.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.6 pt -67.98 -11.6 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.594 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.467 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 8.3 p90 -115.51 -47.95 2.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.634 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -82.43 169.79 49.76 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.891 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.474 ' O ' HG12 ' A' ' 37' ' ' ILE . 8.5 m-85 -72.37 136.62 81.27 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -47.72 -22.49 3.12 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.027 1.54 . . . . 0.0 110.573 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -54.63 -32.74 59.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.474 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.97 -8.73 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.194 -0.941 . . . . 0.0 110.189 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.5 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.524 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.472 ' O ' HG23 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.444 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.439 ' N ' ' CG2' ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -65.66 -42.24 91.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.67 -121.88 0.66 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.778 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -123.35 95.79 44.93 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.536 ' HB2' ' CG2' ' A' ' 37' ' ' ILE . 41.2 Cg_endo -74.8 1.81 7.21 Favored 'Trans proline' 0 C--N 1.302 -1.88 0 O-C-N 124.226 1.645 . . . . 0.0 110.605 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' A' ' 35' ' ' PRO . 34.5 mtp180 67.5 3.4 3.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.481 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.536 ' CG2' ' HB2' ' A' ' 35' ' ' PRO . 26.5 pt -63.26 -34.05 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.036 -1.04 . . . . 0.0 108.735 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.509 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.473 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.464 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.473 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . 0.464 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 -68.69 -44.78 73.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.3 -168.63 40.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.811 -1.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.481 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -130.13 68.32 80.88 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.213 . . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.442 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.7 Cg_endo -44.79 -24.6 1.24 Allowed 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.025 1.54 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -51.0 -37.82 47.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.167 -0.958 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.481 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.2 pt -70.62 -11.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.948 . . . . 0.0 110.42 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.434 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.575 HD13 ' CE1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . 0.47 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . 0.434 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.575 ' CE1' HD13 ' A' ' 42' ' ' LEU . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.49 -44.4 82.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.44 -21.84 1.52 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.784 -2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 42' ' ' LEU . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 42' ' ' LEU . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 39' ' ' LEU . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.206 0.527 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 13.4 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.228 0.537 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 38' ' ' TRP . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.899 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 43' ' ' GLY . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.389 0.614 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.306 0.574 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' HE3' HD23 ' A' ' 39' ' ' LEU . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.566 HD23 ' HE3' ' A' ' 38' ' ' TRP . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.306 0.574 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 42' ' ' LEU . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 39' ' ' LEU . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 pt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.387 0.613 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 42' ' ' LEU . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' TYR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.395 0.617 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.489 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 45' ' ' HIS . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG22 ' NE2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.0 pt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.248 0.547 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 39' ' ' LEU . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.125 0.488 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 41' ' ' ASN . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 43' ' ' GLY . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.268 0.556 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 42' ' ' LEU . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 42' ' ' LEU . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 39' ' ' LEU . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 38' ' ' TRP . 21.8 pt . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.689 0.757 . . . . 0.0 109.077 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.487 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.276 0.56 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.507 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.4 pt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.344 0.593 . . . . 0.0 110.46 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 12.6 t30 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.224 0.535 . . . . 0.0 110.092 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.948 0.88 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.618 ' CE2' ' HA ' ' A' ' 47' ' ' TYR . 8.3 p90 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 42' ' ' LEU . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 42' ' ' LEU . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 38' ' ' TRP . 26.5 pt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.892 0.854 . . . . 0.0 108.735 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.524 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.222 0.534 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 39' ' ' LEU . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' O ' HG12 ' A' ' 37' ' ' ILE . 78.3 m-85 54.7 62.73 7.87 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -63.1 -13.1 33.32 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 O-C-N 123.996 1.524 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -60.83 -37.66 82.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.211 -0.93 . . . . 0.0 110.4 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.9 pt -67.13 -8.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.232 -0.917 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 42' ' ' LEU . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 42' ' ' LEU . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 39' ' ' LEU . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 -68.93 -42.01 77.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.4 81.47 1.74 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.422 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -129.99 68.86 81.41 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -46.21 -23.07 1.77 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 123.993 1.523 . . . . 0.0 110.682 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -55.04 -31.62 61.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.168 -0.957 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.6 pt -78.18 -2.74 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.112 -0.992 . . . . 0.0 110.462 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 -70.11 -43.81 70.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.79 -84.47 1.54 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.872 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 23.2 m-85 -124.63 154.19 70.03 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 34' ' ' PHE . 48.4 Cg_endo -51.79 -19.85 8.66 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.913 1.481 . . . . 0.0 110.451 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -55.93 -33.51 64.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.0 110.321 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.4 pt -67.07 -19.52 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 38' ' ' TRP . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.899 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 43' ' ' GLY . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -65.73 -41.79 91.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.71 141.03 7.72 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -69.63 142.12 91.16 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 110.163 . . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -49.39 -21.27 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.048 1.552 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -54.67 -36.33 64.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.909 . . . . 0.0 110.53 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 34' ' ' PHE . 10.2 pt -72.72 -12.25 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 110.106 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.08 -42.27 76.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.01 169.13 42.26 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.866 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.4 m-85 -66.24 142.12 97.67 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.206 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -48.49 -21.86 3.68 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.936 1.493 . . . . 0.0 110.542 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -57.38 -33.91 68.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.512 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.4 pt -71.0 -10.4 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.222 -0.924 . . . . 0.0 110.184 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' HE3' HD23 ' A' ' 39' ' ' LEU . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.566 HD23 ' HE3' ' A' ' 38' ' ' TRP . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 -71.06 -44.49 65.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.46 50.72 64.54 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.856 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' ILE . 61.8 m-85 -67.9 145.38 97.85 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.291 -0.88 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -49.31 -21.7 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.891 1.469 . . . . 0.0 110.558 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -55.31 -32.86 62.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.8 pt -70.92 -9.46 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.207 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 42' ' ' LEU . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 39' ' ' LEU . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 48.2 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -69.64 -42.25 74.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.74 -76.49 0.36 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.82 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -68.12 148.41 98.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 47.9 Cg_endo -49.43 -21.78 5.33 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.947 1.499 . . . . 0.0 110.438 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -49.94 -36.7 28.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 110.476 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.7 pt -73.51 -7.84 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 42' ' ' LEU . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' TYR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 -69.65 -42.94 73.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.21 -50.41 0.06 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.947 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.3 m-85 -71.35 139.06 84.12 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.94 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -46.46 -23.52 2.21 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 123.998 1.525 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -52.85 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.7 pt -71.6 -10.91 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.165 -0.96 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.489 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 45' ' ' HIS . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG22 ' NE2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 -67.91 -41.36 82.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.43 34.92 91.25 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.81 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.575 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.1 m-85 -47.44 -51.03 46.38 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.92 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.0 Cg_endo -63.99 -9.34 18.84 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.692 1.364 . . . . 0.0 110.66 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 21.3 ttm-85 -60.32 -31.54 70.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.016 . . . . 0.0 109.899 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.0 pt -71.06 -14.39 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.36 -0.838 . . . . 0.0 110.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 39' ' ' LEU . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 48.6 m170 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 -69.88 -44.85 68.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.7 -158.17 23.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.886 -1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.442 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 21.0 m-85 -127.54 67.81 72.84 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.878 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.4 Cg_endo -55.79 -16.02 14.42 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 123.926 1.487 . . . . 0.0 110.647 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -62.04 -34.42 76.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.615 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.2 pt -72.48 -12.91 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.158 -0.964 . . . . 0.0 110.204 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 41' ' ' ASN . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 43' ' ' GLY . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 -65.7 -42.55 91.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . -43.66 136.29 4.92 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.826 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -128.77 68.34 78.73 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.196 . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 46.6 Cg_endo -52.04 -19.46 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.876 1.461 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -52.87 -39.43 62.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.24 -0.912 . . . . 0.0 110.487 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.1 pt -74.22 -1.38 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 42' ' ' LEU . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 42' ' ' LEU . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 39' ' ' LEU . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -72.07 -40.79 68.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 -91.5 0.68 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.893 -1.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -124.76 85.92 56.53 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.771 ' HB2' HG23 ' A' ' 37' ' ' ILE . 40.8 Cg_endo -70.86 -2.29 10.72 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 O-C-N 124.255 1.66 . . . . 0.0 110.8 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 31.3 ttp180 72.27 -0.64 3.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.298 -0.876 . . . . 0.0 110.092 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.771 HG23 ' HB2' ' A' ' 35' ' ' PRO . 21.8 pt -59.52 -34.93 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.149 -0.969 . . . . 0.0 109.077 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.487 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HG2' ' A' ' 36' ' ' ARG . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -67.38 -42.94 82.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.21 177.61 51.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.808 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.69 -50.49 51.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 0.0 110.746 . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 44.8 Cg_endo -64.19 -8.83 17.56 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.648 1.341 . . . . 0.0 110.788 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 27.6 tpt180 -61.35 -29.04 69.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.109 -0.994 . . . . 0.0 109.918 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' PHE . 17.0 pt -72.39 -6.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.226 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -71.17 -41.89 69.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.51 38.26 57.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -130.54 63.79 70.85 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 47.7 Cg_endo -49.29 -21.8 5.0 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 123.943 1.497 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.65 -35.93 33.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.263 -0.898 . . . . 0.0 110.558 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.4 pt -77.38 -1.81 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 110.46 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 46.6 m170 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 12.6 t30 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 -68.54 -42.43 78.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.99 -51.33 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.855 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ACE . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -44.52 -51.83 19.44 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 110.554 . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -67.17 -10.2 27.79 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.772 1.406 . . . . 0.0 110.741 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 22.9 tpt180 -61.14 -31.02 70.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.0 110.092 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.01 -10.28 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 51.2 m170 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 -71.0 -44.65 65.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.11 -137.04 4.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.875 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.91 82.52 0.24 Allowed Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.214 -0.929 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.724 ' HB2' HG23 ' A' ' 37' ' ' ILE . 39.9 Cg_endo -75.91 3.56 5.97 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 O-C-N 124.24 1.652 . . . . 0.0 110.546 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' CD1' ' A' ' 38' ' ' TRP . 41.8 mtp180 67.33 4.25 3.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.405 -0.809 . . . . 0.0 110.492 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 35' ' ' PRO . 17.4 pt -67.81 -30.46 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.158 -0.964 . . . . 0.0 108.783 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -69.76 -42.04 74.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.99 -21.21 0.22 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.876 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 37' ' ' ILE . 17.4 m-85 -130.74 59.94 49.49 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -42.58 -26.52 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 124.032 1.543 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -50.62 -34.81 27.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.6 pt -67.98 -11.6 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 8.3 p90 -115.51 -47.95 2.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.634 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -82.43 169.79 49.76 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.891 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' ' 37' ' ' ILE . 8.5 m-85 -72.37 136.62 81.27 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -47.72 -22.49 3.12 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.027 1.54 . . . . 0.0 110.573 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -54.63 -32.74 59.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.97 -8.73 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.194 -0.941 . . . . 0.0 110.189 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 42' ' ' LEU . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 42' ' ' LEU . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -65.66 -42.24 91.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.67 -121.88 0.66 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.778 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -123.35 95.79 44.93 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.765 ' HB2' HG23 ' A' ' 37' ' ' ILE . 41.2 Cg_endo -74.8 1.81 7.21 Favored 'Trans proline' 0 C--N 1.302 -1.88 0 O-C-N 124.226 1.645 . . . . 0.0 110.605 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' PRO . 34.5 mtp180 67.5 3.4 3.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.481 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 35' ' ' PRO . 26.5 pt -63.26 -34.05 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.036 -1.04 . . . . 0.0 108.735 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 -68.69 -44.78 73.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.3 -168.63 40.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.811 -1.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -130.13 68.32 80.88 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.213 . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.7 Cg_endo -44.79 -24.6 1.24 Allowed 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.025 1.54 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -51.0 -37.82 47.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.167 -0.958 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.2 pt -70.62 -11.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.948 . . . . 0.0 110.42 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 39' ' ' LEU . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.49 -44.4 82.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.44 -21.84 1.52 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.784 -2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.9 pt . . . . . 0 N--CA 1.492 1.635 0 CA-C-O 121.344 0.592 . . . . 0.0 109.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 42' ' ' LEU . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 42' ' ' LEU . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 39' ' ' LEU . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.6 pt . . . . . 0 N--CA 1.493 1.709 0 CA-C-O 121.206 0.527 . . . . 0.0 110.462 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.447 ' O ' ' HB3' ' A' ' 40' ' ' HIS . 13.4 pt . . . . . 0 N--CA 1.491 1.608 0 CA-C-O 121.228 0.537 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 38' ' ' TRP . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.899 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 43' ' ' GLY . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 10.2 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.389 0.614 . . . . 0.0 110.106 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.4 pt . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 121.306 0.574 . . . . 0.0 110.184 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.566 ' HE3' HD23 ' A' ' 39' ' ' LEU . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.566 HD23 ' HE3' ' A' ' 38' ' ' TRP . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.8 pt . . . . . 0 N--CA 1.493 1.698 0 CA-C-O 121.306 0.574 . . . . 0.0 110.207 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 42' ' ' LEU . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 39' ' ' LEU . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.401 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.7 pt . . . . . 0 N--CA 1.492 1.64 0 CA-C-O 121.387 0.613 . . . . 0.0 110.221 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 42' ' ' LEU . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' TYR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 11.7 pt . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 121.395 0.617 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.489 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 45' ' ' HIS . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG22 ' NE2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' HA ' ' CD2' ' A' ' 40' ' ' HIS . 15.0 pt . . . . . 0 N--CA 1.49 1.556 0 CA-C-O 121.248 0.547 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 39' ' ' LEU . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 8.2 m-70 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 9.2 pt . . . . . 0 N--CA 1.492 1.675 0 CA-C-O 121.125 0.488 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 41' ' ' ASN . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 43' ' ' GLY . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 . . . . . 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 13.1 pt . . . . . 0 N--CA 1.494 1.731 0 CA-C-O 121.268 0.556 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 42' ' ' LEU . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 42' ' ' LEU . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 39' ' ' LEU . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 . . . . . 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.487 HG13 ' N ' ' A' ' 38' ' ' TRP . 21.8 pt . . . . . 0 N--CA 1.488 1.454 0 CA-C-O 121.689 0.757 . . . . 0.0 109.077 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.487 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 . . . . . 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.0 pt . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 121.276 0.56 . . . . 0.0 110.226 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.507 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.405 ' HA ' ' CD2' ' A' ' 40' ' ' HIS . 14.4 pt . . . . . 0 N--CA 1.492 1.671 0 CA-C-O 121.344 0.593 . . . . 0.0 110.46 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 8.9 m-70 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 6.6 t-20 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.446 ' HA ' ' CD2' ' A' ' 40' ' ' HIS . 12.6 pt . . . . . 0 N--CA 1.492 1.657 0 CA-C-O 121.224 0.535 . . . . 0.0 110.092 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 7.9 m-70 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 . . . . . 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 17.4 pt . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 121.948 0.88 . . . . 0.0 108.783 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.498 ' CG ' ' N ' ' A' ' 39' ' ' LEU . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.433 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 . . . . . 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.6 pt . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.317 0.579 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.618 ' CE2' ' HA ' ' A' ' 47' ' ' TYR . 8.3 p90 . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 12.6 pt . . . . . 0 N--CA 1.493 1.675 0 CA-C-O 121.284 0.564 . . . . 0.0 110.189 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 42' ' ' LEU . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 42' ' ' LEU . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.598 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 . . . . . 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.524 HG13 ' N ' ' A' ' 38' ' ' TRP . 26.5 pt . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.892 0.854 . . . . 0.0 108.735 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.524 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 . . . . . 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 14.2 pt . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.222 0.534 . . . . 0.0 110.42 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 39' ' ' LEU . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 . . . . . 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.423 ' O ' ' HB2' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.214 -0.769 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' O ' HG12 ' A' ' 37' ' ' ILE . 78.3 m-85 54.7 62.73 7.87 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.247 -0.908 . . . . 0.0 110.211 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.9 Cg_endo -63.1 -13.1 33.32 Favored 'Trans proline' 0 C--N 1.304 -1.8 0 O-C-N 123.996 1.524 . . . . 0.0 110.527 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 46.3 ttm105 -60.83 -37.66 82.81 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.211 -0.93 . . . . 0.0 110.4 -179.834 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.503 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.9 pt -67.13 -8.17 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.232 -0.917 . . . . 0.0 109.951 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.588 ' CH2' HD21 ' A' ' 42' ' ' LEU . 82.3 t90 -57.81 -29.06 64.6 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.349 -0.844 . . . . 0.0 110.385 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 42' ' ' LEU . 23.8 tp -59.94 -33.68 72.23 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.141 -0.974 . . . . 0.0 110.373 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.6 m80 -60.38 -34.03 73.3 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.336 -0.853 . . . . 0.0 110.09 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 21.8 m120 -55.56 -42.42 74.67 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.351 -0.843 . . . . 0.0 109.958 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.601 HD12 HD12 ' A' ' 39' ' ' LEU . 43.0 mt -51.21 -36.63 42.47 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.33 -0.856 . . . . 0.0 110.38 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.401 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -57.34 -24.4 51.68 Favored Glycine 0 N--CA 1.491 2.306 0 N-CA-C 109.999 -1.24 . . . . 0.0 109.999 -179.585 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 47.2 tt0 -71.1 -25.24 62.52 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.094 -1.239 . . . . 0.0 110.507 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.9 m80 -75.3 -46.47 33.25 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.179 -0.951 . . . . 0.0 110.205 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.445 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 19.0 pt -68.56 -26.29 32.98 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 121.245 -0.909 . . . . 0.0 109.973 179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.423 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.2 t80 -66.04 -34.28 77.72 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.276 -0.89 . . . . 0.0 110.17 179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -69.35 -31.9 70.61 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.298 -0.876 . . . . 0.0 109.545 179.611 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 53.2 m -58.23 -36.18 72.79 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 121.444 -0.785 . . . . 0.0 109.713 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.445 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.7 m-85 -68.93 -42.01 77.35 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.419 -0.801 . . . . 0.0 109.92 179.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -85.4 81.47 1.74 Allowed Glycine 0 N--CA 1.492 2.39 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.346 0 O-C-N 119.836 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.422 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.216 -0.686 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -129.99 68.86 81.41 Favored Pre-proline 0 N--CA 1.491 1.618 0 O-C-N 121.265 -0.897 . . . . 0.0 110.151 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.5 Cg_endo -46.21 -23.07 1.77 Allowed 'Trans proline' 0 C--N 1.304 -1.795 0 O-C-N 123.993 1.523 . . . . 0.0 110.682 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 88.1 mtm-85 -55.04 -31.62 61.23 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.168 -0.957 . . . . 0.0 110.756 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.479 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.6 pt -78.18 -2.74 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.112 -0.992 . . . . 0.0 110.462 -179.706 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 53.2 t90 -63.83 -32.96 74.65 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.194 -0.941 . . . . 0.0 110.449 -179.737 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.3 tp -59.61 -31.52 69.56 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.198 -0.939 . . . . 0.0 110.595 -179.679 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -62.73 -28.49 69.99 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.196 -0.94 . . . . 0.0 110.452 -179.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -55.45 -42.23 73.99 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.161 -0.962 . . . . 0.0 110.246 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 40.2 mt -52.47 -35.74 53.34 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.285 -0.884 . . . . 0.0 110.367 -179.922 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.36 -21.62 60.13 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.858 -1.297 . . . . 0.0 109.858 -179.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -75.69 -25.87 57.08 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 120.977 -1.307 . . . . 0.0 110.388 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.3 m80 -71.01 -45.41 64.0 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.125 -0.984 . . . . 0.0 110.069 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.55 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 18.6 pt -74.63 -25.47 19.14 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.6 0 O-C-N 121.198 -0.939 . . . . 0.0 109.994 179.801 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 61.9 t80 -64.23 -44.64 91.22 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.343 -0.848 . . . . 0.0 110.169 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.6 tt0 -60.97 -33.86 73.88 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.398 -0.814 . . . . 0.0 110.04 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.4 m -56.93 -35.09 68.65 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.297 -0.877 . . . . 0.0 109.782 179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.55 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 97.3 m-85 -70.11 -43.81 70.26 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.251 -0.906 . . . . 0.0 109.871 179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -92.79 -84.47 1.54 Allowed Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.344 0 O-C-N 119.872 -1.958 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.739 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' HB3' ' HD2' ' A' ' 35' ' ' PRO . 23.2 m-85 -124.63 154.19 70.03 Favored Pre-proline 0 N--CA 1.492 1.64 0 O-C-N 121.348 -0.845 . . . . 0.0 110.033 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.484 ' HD2' ' HB3' ' A' ' 34' ' ' PHE . 48.4 Cg_endo -51.79 -19.85 8.66 Favored 'Trans proline' 0 C--N 1.306 -1.697 0 O-C-N 123.913 1.481 . . . . 0.0 110.451 -179.869 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -55.93 -33.51 64.77 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.289 -0.882 . . . . 0.0 110.321 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.47 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.4 pt -67.07 -19.52 25.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.206 -0.934 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.899 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 65.0 t90 -54.75 -42.83 72.13 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.242 -0.912 . . . . 0.0 109.88 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.486 HD23 ' HE3' ' A' ' 38' ' ' TRP . 80.9 mt -62.58 -33.39 74.88 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.196 -0.94 . . . . 0.0 109.698 179.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.447 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 50.2 t-80 -61.61 -40.99 96.79 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.371 -0.83 . . . . 0.0 109.755 179.589 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -53.58 -43.25 68.39 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.418 -0.801 . . . . 0.0 109.931 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.899 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 54.0 mt -55.97 -32.23 63.71 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.438 -0.789 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.533 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -60.33 -27.03 64.88 Favored Glycine 0 N--CA 1.492 2.4 0 N-CA-C 109.832 -1.307 . . . . 0.0 109.832 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.5 tt0 -68.28 -27.33 66.22 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.082 -1.246 . . . . 0.0 110.336 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.2 m80 -72.42 -45.39 59.87 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.295 -0.878 . . . . 0.0 110.164 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.533 HG22 ' O ' ' A' ' 43' ' ' GLY . 7.4 tt -64.66 -33.84 65.9 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.131 -0.981 . . . . 0.0 110.177 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.2 t80 -58.08 -40.6 81.49 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.159 -0.963 . . . . 0.0 110.154 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.1 mt-10 -62.12 -35.27 78.21 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.325 -0.86 . . . . 0.0 109.886 179.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.9 m -57.89 -36.44 72.43 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.261 -0.899 . . . . 0.0 109.646 179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 16.6 m-30 -65.73 -41.79 91.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.39 -0.819 . . . . 0.0 109.835 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -155.71 141.03 7.72 Favored Glycine 0 N--CA 1.49 2.252 0 N-CA-C 109.463 -1.455 . . . . 0.0 109.463 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.33 0 O-C-N 119.835 -1.979 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.797 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.48 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.9 OUTLIER -69.63 142.12 91.16 Favored Pre-proline 0 N--CA 1.491 1.624 0 O-C-N 121.366 -0.834 . . . . 0.0 110.163 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.1 Cg_endo -49.39 -21.27 4.64 Favored 'Trans proline' 0 C--N 1.304 -1.798 0 O-C-N 124.048 1.552 . . . . 0.0 110.466 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 66.9 mtm180 -54.67 -36.33 64.51 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.245 -0.909 . . . . 0.0 110.53 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.48 HG12 ' O ' ' A' ' 34' ' ' PHE . 10.2 pt -72.72 -12.25 15.55 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.269 -0.894 . . . . 0.0 110.106 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.408 ' O ' ' HB2' ' A' ' 41' ' ' ASN . 88.7 t90 -58.76 -35.02 72.08 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.227 -0.921 . . . . 0.0 110.238 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.7 tp -56.77 -36.95 70.42 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.283 -0.886 . . . . 0.0 110.096 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -60.17 -38.35 82.93 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.323 -0.86 . . . . 0.0 109.859 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.408 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 96.4 m-20 -52.56 -41.78 63.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.328 -0.857 . . . . 0.0 109.711 179.58 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -63.28 -27.04 69.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.46 -0.775 . . . . 0.0 110.416 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.465 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -61.22 -28.33 68.97 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.257 -1.537 . . . . 0.0 109.257 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 96.3 mt-30 -66.35 -25.71 66.93 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.329 -1.1 . . . . 0.0 110.249 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -77.58 -45.39 25.4 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.321 -0.862 . . . . 0.0 110.184 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG12 ' O ' ' A' ' 43' ' ' GLY . 16.3 pt -69.3 -28.71 39.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 121.191 -0.943 . . . . 0.0 110.07 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . 68.3 t80 -64.82 -35.8 82.29 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.22 -0.925 . . . . 0.0 110.007 179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 98.6 mt-10 -67.85 -28.69 67.76 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.366 -0.834 . . . . 0.0 109.511 179.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 59.7 m -57.91 -36.22 72.15 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.446 -0.784 . . . . 0.0 109.531 179.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 94.6 m-85 -69.08 -42.27 76.43 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.465 -0.772 . . . . 0.0 109.686 179.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -172.01 169.13 42.26 Favored Glycine 0 N--CA 1.49 2.26 0 N-CA-C 109.407 -1.477 . . . . 0.0 109.407 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.385 0 O-C-N 119.866 -1.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 37' ' ' ILE . 5.4 m-85 -66.24 142.12 97.67 Favored Pre-proline 0 N--CA 1.492 1.627 0 O-C-N 121.288 -0.883 . . . . 0.0 110.206 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.2 Cg_endo -48.49 -21.86 3.68 Favored 'Trans proline' 0 C--N 1.306 -1.707 0 O-C-N 123.936 1.493 . . . . 0.0 110.542 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 62.6 mtm180 -57.38 -33.91 68.32 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.191 -0.943 . . . . 0.0 110.512 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.4 pt -71.0 -10.4 13.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.222 -0.924 . . . . 0.0 110.184 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.566 ' HE3' HD23 ' A' ' 39' ' ' LEU . 56.3 t90 -56.1 -39.35 72.04 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.339 -0.85 . . . . 0.0 110.123 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.566 HD23 ' HE3' ' A' ' 38' ' ' TRP . 70.5 mt -62.73 -32.44 73.56 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.296 -0.877 . . . . 0.0 110.341 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -67.24 -35.98 80.67 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.295 -0.878 . . . . 0.0 110.085 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -56.92 -43.91 81.9 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.155 -0.966 . . . . 0.0 110.165 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 20.3 tp -52.87 -35.11 57.25 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.425 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.7 -29.48 72.21 Favored Glycine 0 N--CA 1.489 2.178 0 N-CA-C 109.704 -1.359 . . . . 0.0 109.704 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 50.7 tt0 -68.91 -31.52 70.49 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.185 -1.185 . . . . 0.0 110.44 -179.788 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -67.52 -49.02 65.3 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.154 -0.967 . . . . 0.0 109.844 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.536 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 25.6 pt -70.49 -24.88 25.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.168 -0.957 . . . . 0.0 109.398 179.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.406 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.1 t80 -61.51 -44.07 97.72 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.516 -0.74 . . . . 0.0 109.899 179.621 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.2 tt0 -62.0 -34.81 76.87 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.579 -0.701 . . . . 0.0 109.85 179.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.8 m -57.98 -35.33 71.04 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.38 -0.825 . . . . 0.0 110.006 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.536 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 91.3 m-85 -71.06 -44.49 65.64 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.335 -0.853 . . . . 0.0 110.067 179.797 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 60.46 50.72 64.54 Favored Glycine 0 N--CA 1.488 2.13 0 N-CA-C 109.328 -1.509 . . . . 0.0 109.328 -179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.378 0 O-C-N 119.856 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.728 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.469 ' O ' HG12 ' A' ' 37' ' ' ILE . 61.8 m-85 -67.9 145.38 97.85 Favored Pre-proline 0 N--CA 1.49 1.559 0 O-C-N 121.291 -0.88 . . . . 0.0 110.11 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -49.31 -21.7 4.94 Favored 'Trans proline' 0 C--N 1.306 -1.676 0 O-C-N 123.891 1.469 . . . . 0.0 110.558 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -55.31 -32.86 62.81 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.206 -0.934 . . . . 0.0 110.408 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.469 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.8 pt -70.92 -9.46 12.79 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 121.223 -0.923 . . . . 0.0 110.207 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.545 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 83.6 t90 -60.35 -32.32 71.16 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.332 -0.855 . . . . 0.0 110.447 -179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 42' ' ' LEU . 29.0 tp -58.52 -35.44 72.28 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.167 -0.958 . . . . 0.0 110.284 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -59.42 -34.29 72.29 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.303 -0.873 . . . . 0.0 110.101 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -57.15 -40.43 77.19 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.326 -0.859 . . . . 0.0 110.125 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.671 HD12 HD12 ' A' ' 39' ' ' LEU . 53.4 mt -56.23 -33.84 65.77 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.346 -0.846 . . . . 0.0 110.236 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.567 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -59.79 -26.14 62.38 Favored Glycine 0 N--CA 1.49 2.287 0 N-CA-C 109.638 -1.385 . . . . 0.0 109.638 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 6.3 tt0 -68.53 -28.08 66.67 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.223 -1.163 . . . . 0.0 110.198 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -71.58 -47.98 51.28 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 109.953 179.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.567 HG22 ' O ' ' A' ' 43' ' ' GLY . 6.4 tt -61.3 -34.84 62.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.648 0 O-C-N 121.135 -0.978 . . . . 0.0 110.029 179.624 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.401 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.6 t80 -58.18 -42.09 85.3 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.291 -0.881 . . . . 0.0 109.985 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 24.1 tt0 -60.16 -32.06 70.69 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.456 -0.778 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 38.6 m -56.77 -36.39 69.76 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.454 -0.779 . . . . 0.0 109.788 179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -69.64 -42.25 74.52 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.39 -0.819 . . . . 0.0 109.93 179.689 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -122.74 -76.49 0.36 Allowed Glycine 0 N--CA 1.491 2.354 0 N-CA-C 109.457 -1.457 . . . . 0.0 109.457 -179.829 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.38 0 O-C-N 119.82 -1.988 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.742 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.475 ' O ' HG12 ' A' ' 37' ' ' ILE . 33.2 m-85 -68.12 148.41 98.33 Favored Pre-proline 0 N--CA 1.491 1.578 0 O-C-N 121.234 -0.916 . . . . 0.0 110.245 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 47.9 Cg_endo -49.43 -21.78 5.33 Favored 'Trans proline' 0 C--N 1.305 -1.754 0 O-C-N 123.947 1.499 . . . . 0.0 110.438 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 19.7 tpt180 -49.94 -36.7 28.82 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.212 -0.93 . . . . 0.0 110.476 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.475 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.7 pt -73.51 -7.84 10.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.64 0 O-C-N 121.218 -0.926 . . . . 0.0 110.221 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.863 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 81.1 t90 -63.59 -26.13 68.55 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.343 -0.848 . . . . 0.0 110.415 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.653 HD12 HD12 ' A' ' 42' ' ' LEU . 21.8 tp -66.28 -30.44 70.86 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.213 -0.93 . . . . 0.0 110.15 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.7 m80 -62.18 -35.09 77.75 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.239 -0.913 . . . . 0.0 110.138 179.803 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -57.89 -39.69 78.47 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.289 -0.882 . . . . 0.0 110.129 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.863 HD11 ' CZ3' ' A' ' 38' ' ' TRP . 57.4 mt -58.52 -28.32 65.32 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.449 -0.782 . . . . 0.0 110.152 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -60.29 -26.63 64.21 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.676 -1.37 . . . . 0.0 109.676 -179.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 51.5 tt0 -68.92 -29.92 68.27 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.15 -1.206 . . . . 0.0 110.295 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 81.0 m80 -68.55 -48.7 63.6 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.206 -0.934 . . . . 0.0 109.956 179.911 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' TYR . 20.5 pt -70.57 -27.34 30.8 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.566 0 O-C-N 121.205 -0.934 . . . . 0.0 109.607 179.487 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . 61.3 t80 -59.6 -47.08 86.99 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.445 -0.784 . . . . 0.0 109.893 179.59 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -58.81 -34.12 71.16 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.484 -0.76 . . . . 0.0 109.565 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.449 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 46.0 m -56.65 -34.85 67.71 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.481 -0.762 . . . . 0.0 109.807 179.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.44 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 95.5 m-85 -69.65 -42.94 73.57 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.374 -0.829 . . . . 0.0 109.983 179.704 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -175.21 -50.41 0.06 OUTLIER Glycine 0 N--CA 1.49 2.235 0 N-CA-C 109.469 -1.452 . . . . 0.0 109.469 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.341 0 O-C-N 119.947 -1.914 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.735 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.472 ' O ' HG12 ' A' ' 37' ' ' ILE . 7.3 m-85 -71.35 139.06 84.12 Favored Pre-proline 0 N--CA 1.491 1.583 0 O-C-N 121.195 -0.94 . . . . 0.0 110.176 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 46.3 Cg_endo -46.46 -23.52 2.21 Favored 'Trans proline' 0 C--N 1.304 -1.797 0 O-C-N 123.998 1.525 . . . . 0.0 110.537 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 70.6 mtm180 -52.85 -36.55 59.01 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.202 -0.936 . . . . 0.0 110.706 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.472 HG12 ' O ' ' A' ' 34' ' ' PHE . 11.7 pt -71.6 -10.91 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.694 0 O-C-N 121.165 -0.96 . . . . 0.0 109.992 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 86.8 t90 -60.69 -26.82 67.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.255 -0.903 . . . . 0.0 110.181 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.631 ' N ' HD12 ' A' ' 39' ' ' LEU . 9.8 mp -69.58 -35.9 75.78 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.384 -0.823 . . . . 0.0 110.221 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -61.52 -36.51 80.75 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.311 -0.868 . . . . 0.0 109.734 179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.477 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 97.9 m-20 -61.42 -40.93 96.22 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.287 -0.883 . . . . 0.0 109.798 179.469 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.489 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 14.9 tp -52.27 -35.99 51.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.356 -0.84 . . . . 0.0 110.321 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -69.29 -6.85 55.78 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.607 -1.397 . . . . 0.0 109.607 -179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.477 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.3 mt-30 -90.68 -18.76 24.52 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.12 -1.223 . . . . 0.0 110.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.525 ' C ' ' CD2' ' A' ' 45' ' ' HIS . 1.8 p-80 -87.43 -28.73 21.94 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.134 -0.979 . . . . 0.0 110.361 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG22 ' NE2' ' A' ' 45' ' ' HIS . 8.9 pt -65.51 -26.34 38.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.748 0 O-C-N 121.041 -1.037 . . . . 0.0 109.664 179.738 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 67.6 t80 -63.27 -39.93 95.97 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.37 -0.831 . . . . 0.0 109.911 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -64.97 -31.82 73.24 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.401 -0.812 . . . . 0.0 109.496 179.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 68.8 m -57.55 -35.37 70.24 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.389 -0.819 . . . . 0.0 109.536 179.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.424 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.6 m-85 -67.91 -41.36 82.75 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.419 -0.8 . . . . 0.0 109.754 179.475 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 63.43 34.92 91.25 Favored Glycine 0 N--CA 1.488 2.161 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 -179.873 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.308 0 O-C-N 119.914 -1.933 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.507 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.81 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.575 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 2.1 m-85 -47.44 -51.03 46.38 Favored Pre-proline 0 N--CA 1.491 1.579 0 O-C-N 121.229 -0.92 . . . . 0.0 110.753 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.575 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.0 Cg_endo -63.99 -9.34 18.84 Favored 'Trans proline' 0 C--N 1.309 -1.517 0 O-C-N 123.692 1.364 . . . . 0.0 110.66 -179.469 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.507 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 21.3 ttm-85 -60.32 -31.54 70.38 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.074 -1.016 . . . . 0.0 109.899 179.604 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.452 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.0 pt -71.06 -14.39 17.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 121.36 -0.838 . . . . 0.0 110.092 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.577 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.1 t-105 -59.69 -27.15 66.17 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.235 -0.916 . . . . 0.0 110.249 -179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.428 ' HA ' HD12 ' A' ' 39' ' ' LEU . 18.7 tp -72.22 -28.8 63.41 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.131 -0.981 . . . . 0.0 109.759 179.632 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 8.2 m-70 -66.68 -38.76 87.46 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.397 -0.814 . . . . 0.0 110.012 179.752 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.444 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 85.7 m-20 -58.7 -43.43 90.06 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.286 -0.884 . . . . 0.0 110.14 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 25.7 tp -53.19 -36.5 61.02 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.361 -0.837 . . . . 0.0 110.27 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.402 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.74 -28.01 71.95 Favored Glycine 0 N--CA 1.49 2.267 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 98.0 mm-40 -70.68 -29.07 65.29 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.226 -1.161 . . . . 0.0 110.218 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.8 m80 -69.77 -51.73 31.41 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.185 -0.947 . . . . 0.0 109.633 179.633 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' O ' ' HB ' ' A' ' 49' ' ' THR . 22.7 pt -64.54 -26.74 40.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.496 0 O-C-N 121.17 -0.956 . . . . 0.0 109.102 179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.456 ' N ' HG13 ' A' ' 46' ' ' ILE . 56.7 t80 -57.09 -47.46 80.97 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.428 -0.795 . . . . 0.0 109.61 179.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -59.13 -34.64 72.3 Favored 'General case' 0 C--N 1.301 -1.532 0 O-C-N 121.563 -0.71 . . . . 0.0 109.54 179.448 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.486 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 58.3 m -56.5 -34.03 66.59 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.444 -0.785 . . . . 0.0 109.652 179.609 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.451 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 93.7 m-85 -69.88 -44.85 68.92 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.346 -0.846 . . . . 0.0 109.924 179.663 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 133.7 -158.17 23.13 Favored Glycine 0 N--CA 1.49 2.245 0 N-CA-C 109.397 -1.481 . . . . 0.0 109.397 -179.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.379 0 O-C-N 119.886 -1.949 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.442 ' C ' ' CD1' ' A' ' 34' ' ' PHE . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.541 ' N ' ' CD1' ' A' ' 34' ' ' PHE . 21.0 m-85 -127.54 67.81 72.84 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.294 -0.878 . . . . 0.0 110.205 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.476 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.4 Cg_endo -55.79 -16.02 14.42 Favored 'Trans proline' 0 C--N 1.304 -1.765 0 O-C-N 123.926 1.487 . . . . 0.0 110.647 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 81.8 mtm180 -62.04 -34.42 76.2 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.1 -1.0 . . . . 0.0 110.615 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.517 HG12 ' O ' ' A' ' 34' ' ' PHE . 9.2 pt -72.48 -12.91 16.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.158 -0.964 . . . . 0.0 110.204 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.575 ' CZ3' ' HB3' ' A' ' 41' ' ' ASN . 1.1 t-105 -58.69 -30.47 67.41 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.28 -0.888 . . . . 0.0 110.172 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.421 HD12 ' HA ' ' A' ' 39' ' ' LEU . 14.6 tp -69.82 -30.66 68.22 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.154 -0.966 . . . . 0.0 109.625 179.6 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -62.61 -45.97 90.44 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.318 -0.864 . . . . 0.0 109.316 179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.575 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.7 t-20 -52.48 -47.94 66.23 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 179.42 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 26.4 tp -55.53 -36.12 66.41 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.445 -0.784 . . . . 0.0 109.703 179.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.495 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.54 -30.49 77.78 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.137 -1.585 . . . . 0.0 109.137 179.615 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.42 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 93.2 mt-30 -64.87 -28.52 69.6 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.246 -1.149 . . . . 0.0 109.931 179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.0 m80 -70.33 -48.15 57.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.261 -0.899 . . . . 0.0 109.825 179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG12 ' O ' ' A' ' 43' ' ' GLY . 17.1 pt -70.65 -29.09 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.252 -0.905 . . . . 0.0 109.736 179.593 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.8 t80 -59.76 -39.03 83.45 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.254 -0.904 . . . . 0.0 109.941 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 99.1 mt-10 -68.43 -31.13 70.24 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.39 -0.819 . . . . 0.0 109.596 179.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 56.4 m -60.0 -38.63 83.19 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.446 -0.784 . . . . 0.0 109.75 179.583 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.491 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 92.8 m-85 -65.7 -42.55 91.05 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.256 -0.903 . . . . 0.0 109.816 179.622 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.421 ' C ' ' O ' ' A' ' 50' ' ' TYR . . . -43.66 136.29 4.92 Favored Glycine 0 N--CA 1.489 2.205 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.365 0 O-C-N 119.826 -1.985 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.737 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.493 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -128.77 68.34 78.73 Favored Pre-proline 0 N--CA 1.491 1.592 0 O-C-N 121.301 -0.874 . . . . 0.0 110.196 . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.439 ' O ' ' CB ' ' A' ' 38' ' ' TRP . 46.6 Cg_endo -52.04 -19.46 8.73 Favored 'Trans proline' 0 C--N 1.304 -1.781 0 O-C-N 123.876 1.461 . . . . 0.0 110.539 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 82.7 mtp180 -52.87 -39.43 62.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.24 -0.912 . . . . 0.0 110.487 -179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.493 HG12 ' O ' ' A' ' 34' ' ' PHE . 13.1 pt -74.22 -1.38 2.89 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.287 -0.883 . . . . 0.0 110.194 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.472 ' CH2' HD21 ' A' ' 42' ' ' LEU . 90.2 t90 -59.37 -33.51 71.27 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.259 -0.901 . . . . 0.0 110.14 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 42' ' ' LEU . 27.1 tp -52.87 -36.7 59.46 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.205 -0.934 . . . . 0.0 110.231 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -57.69 -35.62 70.85 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.315 -0.865 . . . . 0.0 109.607 179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -52.76 -44.65 66.64 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.357 -0.839 . . . . 0.0 109.735 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.645 HD12 HD12 ' A' ' 39' ' ' LEU . 52.4 mt -52.9 -37.71 60.96 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.384 -0.823 . . . . 0.0 109.902 179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.527 ' HA2' ' CG2' ' A' ' 46' ' ' ILE . . . -53.05 -17.96 5.71 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.786 -1.325 . . . . 0.0 109.786 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.427 ' O ' ' HG3' ' A' ' 48' ' ' GLU . 63.2 tt0 -75.01 -36.54 61.94 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.12 -1.224 . . . . 0.0 110.6 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.622 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 3.7 p-80 -77.32 -44.68 28.73 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.176 -0.952 . . . . 0.0 110.099 -179.822 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.622 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 14.7 tt -66.29 -42.57 91.03 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.539 0 O-C-N 121.242 -0.911 . . . . 0.0 110.179 179.764 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.586 ' N ' HG23 ' A' ' 46' ' ' ILE . 72.6 t80 -54.35 -38.41 66.04 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.312 -0.868 . . . . 0.0 110.298 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HG3' ' O ' ' A' ' 44' ' ' GLN . 94.3 mt-10 -63.41 -32.27 73.66 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.365 -0.834 . . . . 0.0 110.336 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 87.9 m -59.93 -34.71 73.59 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.19 -0.943 . . . . 0.0 110.065 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 76.0 m-85 -72.07 -40.79 68.06 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.396 -0.815 . . . . 0.0 110.033 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 73.73 -91.5 0.68 Allowed Glycine 0 N--CA 1.49 2.3 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.387 0 O-C-N 119.893 -1.945 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.216 -0.708 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -124.76 85.92 56.53 Favored Pre-proline 0 N--CA 1.49 1.53 0 O-C-N 121.199 -0.938 . . . . 0.0 110.114 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.771 ' HB2' HG23 ' A' ' 37' ' ' ILE . 40.8 Cg_endo -70.86 -2.29 10.72 Favored 'Trans proline' 0 C--N 1.302 -1.891 0 O-C-N 124.255 1.66 . . . . 0.0 110.8 179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.525 ' CB ' ' O ' ' A' ' 35' ' ' PRO . 31.3 ttp180 72.27 -0.64 3.19 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.298 -0.876 . . . . 0.0 110.092 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.771 HG23 ' HB2' ' A' ' 35' ' ' PRO . 21.8 pt -59.52 -34.93 56.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.454 0 O-C-N 121.149 -0.969 . . . . 0.0 109.077 179.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.487 ' N ' HG13 ' A' ' 37' ' ' ILE . 27.5 t90 -45.39 -46.24 13.14 Favored 'General case' 0 C--N 1.299 -1.592 0 C-N-CA 120.03 -0.668 . . . . 0.0 109.845 179.716 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.465 HD12 ' HG2' ' A' ' 36' ' ' ARG . 85.3 mt -59.52 -33.01 70.84 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.276 -0.89 . . . . 0.0 110.044 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.473 ' HB3' ' O ' ' A' ' 37' ' ' ILE . 49.7 t-80 -64.08 -37.95 89.28 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.322 -0.861 . . . . 0.0 109.882 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -53.66 -43.91 69.21 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.299 -0.876 . . . . 0.0 109.972 179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 65.9 mt -61.62 -33.88 74.69 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.224 -0.922 . . . . 0.0 110.098 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -61.73 -28.01 69.28 Favored Glycine 0 N--CA 1.488 2.156 0 N-CA-C 109.441 -1.464 . . . . 0.0 109.441 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 63.1 tt0 -65.98 -32.9 74.66 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -1.129 . . . . 0.0 110.111 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.4 m80 -68.04 -46.71 70.4 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.244 -0.91 . . . . 0.0 109.722 179.693 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 22.1 pt -74.46 -22.07 17.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.243 -0.911 . . . . 0.0 109.613 179.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 70.4 t80 -70.06 -34.96 73.86 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.422 -0.799 . . . . 0.0 109.856 179.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -66.93 -34.67 78.27 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.361 -0.837 . . . . 0.0 109.605 179.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.0 m -58.82 -37.34 76.17 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.348 -0.845 . . . . 0.0 109.817 179.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 15.1 m-30 -67.38 -42.94 82.54 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.361 -0.837 . . . . 0.0 110.057 179.678 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 83.21 177.61 51.95 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.481 -1.448 . . . . 0.0 109.481 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.377 0 O-C-N 119.902 -1.94 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.508 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.214 -0.808 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.585 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -47.69 -50.49 51.23 Favored Pre-proline 0 N--CA 1.49 1.563 0 O-C-N 121.296 -0.878 . . . . 0.0 110.746 . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.585 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 44.8 Cg_endo -64.19 -8.83 17.56 Favored 'Trans proline' 0 C--N 1.31 -1.485 0 O-C-N 123.648 1.341 . . . . 0.0 110.788 -179.562 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.508 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 27.6 tpt180 -61.35 -29.04 69.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.109 -0.994 . . . . 0.0 109.918 179.647 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 34' ' ' PHE . 17.0 pt -72.39 -6.78 8.38 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.65 0 O-C-N 121.347 -0.846 . . . . 0.0 110.226 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.572 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -61.86 -30.17 70.67 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.277 -0.889 . . . . 0.0 110.452 -179.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.5 mt -69.15 -32.68 72.19 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.197 -0.94 . . . . 0.0 110.267 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.1 m80 -63.42 -41.09 98.69 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.213 -0.93 . . . . 0.0 110.076 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.52 ' HB3' ' CZ3' ' A' ' 38' ' ' TRP . 25.4 t-20 -58.08 -46.76 84.92 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.251 -0.905 . . . . 0.0 109.979 179.851 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.574 ' HG ' ' CE1' ' A' ' 45' ' ' HIS . 26.2 tp -49.73 -42.08 45.2 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.477 -0.764 . . . . 0.0 110.38 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.473 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -51.4 -21.69 6.59 Favored Glycine 0 N--CA 1.489 2.204 0 N-CA-C 109.805 -1.318 . . . . 0.0 109.805 -179.768 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.9 tp60 -71.1 -30.72 66.89 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.087 -1.243 . . . . 0.0 110.948 -179.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.613 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.8 p-80 -73.2 -47.25 45.09 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.002 -1.061 . . . . 0.0 109.965 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.613 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 6.9 tt -60.53 -39.0 79.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 O-C-N 121.235 -0.915 . . . . 0.0 109.722 179.353 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.507 ' N ' HG23 ' A' ' 46' ' ' ILE . 60.5 t80 -55.52 -39.75 70.91 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.461 -0.774 . . . . 0.0 110.119 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 19.7 tt0 -59.92 -33.6 72.1 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.437 -0.789 . . . . 0.0 109.861 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 58.1 m -57.76 -34.61 69.75 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.413 -0.804 . . . . 0.0 109.972 179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.9 m-85 -71.17 -41.89 69.77 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.251 -0.906 . . . . 0.0 109.963 179.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.51 38.26 57.88 Favored Glycine 0 N--CA 1.49 2.244 0 N-CA-C 109.316 -1.514 . . . . 0.0 109.316 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.874 -1.957 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.761 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.478 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -130.54 63.79 70.85 Favored Pre-proline 0 N--CA 1.49 1.573 0 O-C-N 121.209 -0.932 . . . . 0.0 110.295 . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.482 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 47.7 Cg_endo -49.29 -21.8 5.0 Favored 'Trans proline' 0 C--N 1.304 -1.786 0 O-C-N 123.943 1.497 . . . . 0.0 110.365 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 77.7 ttt180 -50.65 -35.93 33.0 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.263 -0.898 . . . . 0.0 110.558 -179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.478 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.4 pt -77.38 -1.81 4.11 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.244 -0.91 . . . . 0.0 110.46 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.565 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 1.2 t-105 -63.6 -32.24 73.66 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.189 -0.944 . . . . 0.0 110.276 -179.864 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 57.9 mt -70.5 -32.31 69.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.3 -0.875 . . . . 0.0 110.253 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.405 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 8.9 m-70 -61.5 -35.94 79.11 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.278 -0.889 . . . . 0.0 110.06 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.453 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 6.6 t-20 -53.41 -49.85 66.41 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.295 -0.878 . . . . 0.0 110.043 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.434 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 23.8 tp -44.58 -40.93 6.14 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.39 -0.819 . . . . 0.0 110.335 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -55.24 -17.34 10.97 Favored Glycine 0 N--CA 1.491 2.335 0 N-CA-C 109.841 -1.304 . . . . 0.0 109.841 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.453 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 97.2 mt-30 -80.64 -21.52 41.36 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.215 -1.168 . . . . 0.0 111.201 -179.483 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.634 ' CE1' ' CG2' ' A' ' 46' ' ' ILE . 2.2 p-80 -84.79 -31.44 23.91 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.807 -1.183 . . . . 0.0 110.463 -179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.634 ' CG2' ' CE1' ' A' ' 45' ' ' HIS . 25.2 pt -75.62 -26.71 18.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.603 0 O-C-N 121.09 -1.006 . . . . 0.0 109.687 179.525 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.486 ' N ' HG13 ' A' ' 46' ' ' ILE . 70.7 t80 -64.87 -38.51 91.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.495 -0.753 . . . . 0.0 110.259 179.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.0 mt-10 -64.02 -33.19 75.17 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.398 -0.813 . . . . 0.0 109.655 179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 60.3 m -57.9 -35.1 70.56 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.372 -0.83 . . . . 0.0 109.721 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.462 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 96.8 m-85 -68.54 -42.43 78.46 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.467 -0.771 . . . . 0.0 109.768 179.553 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -156.99 -51.33 0.01 OUTLIER Glycine 0 N--CA 1.49 2.276 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.323 0 O-C-N 119.855 -1.967 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . 0.499 ' O ' ' CB ' ' A' ' 36' ' ' ARG . . . . . . . . 0 C--O 1.215 -0.744 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.568 ' N ' ' HD2' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -44.52 -51.83 19.44 Favored Pre-proline 0 N--CA 1.491 1.588 0 O-C-N 121.16 -0.962 . . . . 0.0 110.554 . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.568 ' HD2' ' N ' ' A' ' 34' ' ' PHE . 46.2 Cg_endo -67.17 -10.2 27.79 Favored 'Trans proline' 0 C--N 1.309 -1.537 0 O-C-N 123.772 1.406 . . . . 0.0 110.741 -179.558 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.499 ' CB ' ' O ' ' A' ' 33' ' ' ACE . 22.9 tpt180 -61.14 -31.02 70.74 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.145 -0.972 . . . . 0.0 110.092 179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.462 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.01 -10.28 13.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 121.392 -0.818 . . . . 0.0 110.092 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -58.25 -35.08 71.21 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.259 -0.901 . . . . 0.0 110.124 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.4 mt -67.28 -33.21 74.83 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.172 -0.955 . . . . 0.0 110.039 179.64 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.446 ' CD2' ' HA ' ' A' ' 37' ' ' ILE . 7.9 m-70 -61.84 -37.38 84.24 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.286 -0.884 . . . . 0.0 109.936 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.413 ' HB2' ' CE3' ' A' ' 38' ' ' TRP . 88.1 m-20 -59.06 -39.1 81.06 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.364 -0.835 . . . . 0.0 110.046 179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.472 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 53.6 mt -55.87 -32.25 63.51 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.343 -0.848 . . . . 0.0 110.288 -179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.501 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -63.73 -11.77 44.37 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.408 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 95.9 mm-40 -87.7 -16.33 34.62 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.239 -1.153 . . . . 0.0 110.877 -179.727 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.6 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 1.9 p-80 -89.07 -23.09 22.62 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 120.935 -1.103 . . . . 0.0 109.886 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.6 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 8.9 pt -63.14 -28.33 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.122 -0.986 . . . . 0.0 109.087 179.399 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 58.0 t80 -61.91 -41.53 98.03 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.615 -0.678 . . . . 0.0 110.11 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -61.55 -33.8 74.46 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.392 -0.818 . . . . 0.0 109.975 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 43.7 m -59.2 -34.57 72.31 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.31 -0.869 . . . . 0.0 109.889 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.5 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 98.2 m-85 -71.0 -44.65 65.47 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.267 -0.895 . . . . 0.0 109.968 179.701 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.11 -137.04 4.84 Favored Glycine 0 N--CA 1.489 2.228 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.349 0 O-C-N 119.875 -1.956 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.749 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER 53.91 82.52 0.24 Allowed Pre-proline 0 N--CA 1.489 1.525 0 O-C-N 121.214 -0.929 . . . . 0.0 110.105 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.724 ' HB2' HG23 ' A' ' 37' ' ' ILE . 39.9 Cg_endo -75.91 3.56 5.97 Favored 'Trans proline' 0 C--N 1.304 -1.805 0 O-C-N 124.24 1.652 . . . . 0.0 110.546 179.419 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.558 ' HA ' ' CD1' ' A' ' 38' ' ' TRP . 41.8 mtp180 67.33 4.25 3.64 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.405 -0.809 . . . . 0.0 110.492 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.724 HG23 ' HB2' ' A' ' 35' ' ' PRO . 17.4 pt -67.81 -30.46 48.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.158 -0.964 . . . . 0.0 108.783 179.15 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.558 ' CD1' ' HA ' ' A' ' 36' ' ' ARG . 48.0 p-90 -44.3 -37.31 3.21 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.893 -0.504 . . . . 0.0 110.648 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.498 ' N ' ' CG ' ' A' ' 38' ' ' TRP . 26.2 tp -55.51 -34.69 64.86 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.221 -0.924 . . . . 0.0 110.308 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 77.5 m80 -57.53 -37.04 72.4 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.303 -0.873 . . . . 0.0 109.689 179.814 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -51.49 -39.51 57.7 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.305 -0.872 . . . . 0.0 109.529 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.62 HD12 ' N ' ' A' ' 42' ' ' LEU . 7.3 mp -67.67 -28.29 67.57 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.641 -0.662 . . . . 0.0 110.07 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.416 ' O ' HG12 ' A' ' 46' ' ' ILE . . . -65.37 -27.86 72.94 Favored Glycine 0 N--CA 1.489 2.214 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 95.1 mt-30 -69.46 -23.6 63.68 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.334 -1.097 . . . . 0.0 110.412 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 80.0 m80 -77.6 -46.15 23.01 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.106 -0.996 . . . . 0.0 110.045 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.433 HG13 ' N ' ' A' ' 47' ' ' TYR . 18.1 pt -68.55 -25.96 32.19 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.658 0 O-C-N 121.148 -0.97 . . . . 0.0 109.948 179.852 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.433 ' N ' HG13 ' A' ' 46' ' ' ILE . 65.7 t80 -67.92 -33.01 73.86 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.27 -0.894 . . . . 0.0 110.019 179.759 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 75.1 mm-40 -70.23 -29.25 66.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.336 -0.852 . . . . 0.0 109.442 179.634 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 76.0 m -58.84 -35.65 73.27 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.498 -0.752 . . . . 0.0 109.682 179.505 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -69.76 -42.04 74.41 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.458 -0.776 . . . . 0.0 109.714 179.552 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 160.99 -21.21 0.22 Allowed Glycine 0 N--CA 1.49 2.25 0 N-CA-C 109.372 -1.491 . . . . 0.0 109.372 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.305 -1.339 0 O-C-N 119.876 -1.955 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.734 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.46 ' O ' HG12 ' A' ' 37' ' ' ILE . 17.4 m-85 -130.74 59.94 49.49 Favored Pre-proline 0 N--CA 1.492 1.638 0 O-C-N 121.207 -0.933 . . . . 0.0 110.275 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.3 Cg_endo -42.58 -26.52 0.63 Allowed 'Trans proline' 0 C--N 1.305 -1.726 0 O-C-N 124.032 1.543 . . . . 0.0 110.655 -179.866 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 71.6 mtp180 -50.62 -34.81 27.59 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.205 -0.934 . . . . 0.0 110.465 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.46 HG12 ' O ' ' A' ' 34' ' ' PHE . 15.6 pt -67.98 -11.6 14.44 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.171 -0.956 . . . . 0.0 110.182 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . . . . . . . . . 79.6 t90 -60.5 -29.37 69.04 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.124 -0.985 . . . . 0.0 110.22 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 50.1 mt -60.09 -33.44 72.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.284 -0.885 . . . . 0.0 110.505 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 80.5 m80 -63.6 -34.11 77.09 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.333 -0.854 . . . . 0.0 110.347 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 97.9 m-20 -56.83 -40.87 76.84 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 110.26 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 52.2 mt -54.56 -33.04 59.52 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.326 -0.859 . . . . 0.0 110.447 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . -59.74 -26.06 62.16 Favored Glycine 0 N--CA 1.491 2.341 0 N-CA-C 109.896 -1.282 . . . . 0.0 109.896 -179.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -70.57 -27.64 64.28 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.152 -1.205 . . . . 0.0 110.453 -179.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -76.77 -47.0 23.02 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.099 -1.0 . . . . 0.0 110.171 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' O ' ' HB ' ' A' ' 49' ' ' THR . 17.4 pt -67.06 -20.95 27.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.55 0 O-C-N 121.18 -0.95 . . . . 0.0 109.959 179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.618 ' HA ' ' CE2' ' A' ' 50' ' ' TYR . 72.5 t80 -68.32 -42.75 78.9 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.379 -0.826 . . . . 0.0 109.756 179.574 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -64.9 -22.99 67.09 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.46 -0.775 . . . . 0.0 109.01 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.477 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 54.7 m -63.62 -41.27 98.31 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 121.577 -0.702 . . . . 0.0 109.965 179.524 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.634 ' CD1' ' N ' ' A' ' 51' ' ' GLY . 8.3 p90 -115.51 -47.95 2.8 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.295 -0.878 . . . . 0.0 110.568 -179.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.634 ' N ' ' CD1' ' A' ' 50' ' ' TYR . . . -82.43 169.79 49.76 Favored Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.601 -1.4 . . . . 0.0 109.601 -179.752 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.326 0 O-C-N 119.891 -1.947 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.74 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.477 ' O ' HG12 ' A' ' 37' ' ' ILE . 8.5 m-85 -72.37 136.62 81.27 Favored Pre-proline 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 110.184 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 47.1 Cg_endo -47.72 -22.49 3.12 Favored 'Trans proline' 0 C--N 1.304 -1.806 0 O-C-N 124.027 1.54 . . . . 0.0 110.573 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 63.6 mtt180 -54.63 -32.74 59.47 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.164 -0.96 . . . . 0.0 110.58 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 34' ' ' PHE . 12.6 pt -72.97 -8.73 12.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.675 0 O-C-N 121.194 -0.941 . . . . 0.0 110.189 -179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.45 ' CZ3' HD11 ' A' ' 42' ' ' LEU . 88.8 t90 -61.58 -30.97 71.01 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.371 -0.831 . . . . 0.0 110.519 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.521 ' HA ' HD13 ' A' ' 42' ' ' LEU . 32.0 tp -56.76 -35.48 68.69 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.136 -0.977 . . . . 0.0 110.311 -179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.7 m80 -60.57 -33.93 73.43 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.252 -0.905 . . . . 0.0 110.045 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.448 ' HB2' ' O ' ' A' ' 38' ' ' TRP . 98.8 m-20 -52.78 -40.26 63.04 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.328 -0.857 . . . . 0.0 109.936 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.58 ' H ' HD12 ' A' ' 42' ' ' LEU . 6.8 mp -58.48 -38.68 78.11 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.382 -0.824 . . . . 0.0 110.127 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.709 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -56.09 -17.75 17.71 Favored Glycine 0 N--CA 1.489 2.196 0 N-CA-C 109.387 -1.485 . . . . 0.0 109.387 179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.433 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.5 mt-30 -86.27 -29.81 22.8 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.286 -1.126 . . . . 0.0 110.329 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.524 ' ND1' ' O ' ' A' ' 42' ' ' LEU . 1.0 OUTLIER -60.99 -28.16 68.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.298 -0.876 . . . . 0.0 110.339 -179.61 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.709 HG22 ' O ' ' A' ' 43' ' ' GLY . 11.7 tt -57.17 -41.64 78.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.644 0 O-C-N 121.214 -0.929 . . . . 0.0 109.667 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.598 ' N ' HG23 ' A' ' 46' ' ' ILE . 65.3 t80 -54.08 -38.2 65.06 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.449 -0.782 . . . . 0.0 109.904 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 97.2 mt-10 -62.08 -31.87 72.35 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.431 -0.793 . . . . 0.0 109.748 179.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 50.8 m -56.9 -37.33 71.26 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.223 -0.923 . . . . 0.0 109.466 179.511 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 95.0 m-85 -65.66 -42.24 91.58 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.431 -0.793 . . . . 0.0 109.694 179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -174.67 -121.88 0.66 Allowed Glycine 0 N--CA 1.49 2.241 0 N-CA-C 109.4 -1.48 . . . . 0.0 109.4 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.301 0 O-C-N 119.848 -1.972 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.214 -0.778 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -123.35 95.79 44.93 Favored Pre-proline 0 N--CA 1.49 1.568 0 O-C-N 121.278 -0.889 . . . . 0.0 110.246 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.765 ' HB2' HG23 ' A' ' 37' ' ' ILE . 41.2 Cg_endo -74.8 1.81 7.21 Favored 'Trans proline' 0 C--N 1.302 -1.88 0 O-C-N 124.226 1.645 . . . . 0.0 110.605 179.583 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.465 ' HB2' ' O ' ' A' ' 35' ' ' PRO . 34.5 mtp180 67.5 3.4 3.33 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.363 -0.836 . . . . 0.0 110.481 -179.868 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.765 HG23 ' HB2' ' A' ' 35' ' ' PRO . 26.5 pt -63.26 -34.05 64.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 O-C-N 121.036 -1.04 . . . . 0.0 108.735 179.118 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.524 ' N ' HG13 ' A' ' 37' ' ' ILE . 57.8 t90 -44.36 -40.89 5.7 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.386 0.612 . . . . 0.0 110.01 179.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 43.0 mt -53.01 -34.14 54.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.318 -0.863 . . . . 0.0 110.114 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 78.8 m80 -65.63 -34.99 79.5 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.424 -0.798 . . . . 0.0 110.156 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.462 ' O ' ' HB2' ' A' ' 44' ' ' GLN . 95.0 m-20 -59.08 -45.7 90.15 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.311 -0.868 . . . . 0.0 109.893 179.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 30.8 tp -45.97 -41.52 11.84 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.254 -0.904 . . . . 0.0 110.449 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.48 ' O ' ' HB2' ' A' ' 47' ' ' TYR . . . -55.65 -30.86 57.04 Favored Glycine 0 N--CA 1.491 2.327 0 N-CA-C 109.534 -1.426 . . . . 0.0 109.534 -179.783 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.462 ' HB2' ' O ' ' A' ' 41' ' ' ASN . 96.4 mt-30 -63.09 -31.95 73.21 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.231 -1.158 . . . . 0.0 110.279 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -66.85 -47.41 72.03 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.207 -0.933 . . . . 0.0 109.709 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.503 ' O ' ' CD2' ' A' ' 50' ' ' TYR . 20.2 pt -76.88 -29.33 17.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.248 -0.908 . . . . 0.0 109.259 179.3 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.48 ' HB2' ' O ' ' A' ' 43' ' ' GLY . 56.4 t80 -59.13 -43.44 92.0 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.466 -0.771 . . . . 0.0 109.935 179.543 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.41 -35.17 78.38 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.477 -0.765 . . . . 0.0 109.919 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 37.4 m -57.5 -36.43 71.52 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.345 -0.847 . . . . 0.0 109.761 179.797 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . 0.503 ' CD2' ' O ' ' A' ' 46' ' ' ILE . 94.4 m-85 -68.69 -44.78 73.26 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.253 -0.904 . . . . 0.0 109.881 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -81.3 -168.63 40.59 Favored Glycine 0 N--CA 1.49 2.256 0 N-CA-C 109.329 -1.509 . . . . 0.0 109.329 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.304 -1.409 0 O-C-N 119.811 -1.994 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.215 -0.748 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.485 ' O ' HG12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -130.13 68.32 80.88 Favored Pre-proline 0 N--CA 1.491 1.58 0 O-C-N 121.245 -0.91 . . . . 0.0 110.213 . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.464 ' O ' ' HB3' ' A' ' 38' ' ' TRP . 46.7 Cg_endo -44.79 -24.6 1.24 Allowed 'Trans proline' 0 C--N 1.304 -1.804 0 O-C-N 124.025 1.54 . . . . 0.0 110.575 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 17.5 tpt180 -51.0 -37.82 47.43 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.167 -0.958 . . . . 0.0 110.578 -179.831 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 34' ' ' PHE . 14.2 pt -70.62 -11.26 14.83 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.656 0 O-C-N 121.184 -0.948 . . . . 0.0 110.42 -179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' TRP . . . . . 0.567 ' O ' ' CE3' ' A' ' 38' ' ' TRP . 0.4 OUTLIER -56.68 -39.43 73.79 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.151 -0.968 . . . . 0.0 110.037 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.418 HD12 ' HA ' ' A' ' 39' ' ' LEU . 20.2 tp -68.73 -28.35 66.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.281 -0.887 . . . . 0.0 110.022 179.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 36.1 t-80 -73.68 -32.62 64.05 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.306 -0.872 . . . . 0.0 110.024 179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.45 ' O ' ' HB3' ' A' ' 44' ' ' GLN . 97.1 m-20 -58.47 -43.47 88.95 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.209 -0.932 . . . . 0.0 109.668 179.489 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.531 ' O ' ' ND1' ' A' ' 45' ' ' HIS . 24.4 tp -47.19 -43.92 21.74 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.508 -0.745 . . . . 0.0 110.59 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . 0.506 ' O ' HG22 ' A' ' 46' ' ' ILE . . . -57.78 -14.47 15.96 Favored Glycine 0 N--CA 1.491 2.337 0 N-CA-C 109.962 -1.255 . . . . 0.0 109.962 -179.7 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . 0.45 ' HB3' ' O ' ' A' ' 41' ' ' ASN . 60.0 tt0 -85.65 -25.21 26.72 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.093 -1.239 . . . . 0.0 111.22 -179.471 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.546 ' CD2' ' N ' ' A' ' 46' ' ' ILE . 2.1 p-80 -76.02 -33.79 59.66 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 121.006 -1.059 . . . . 0.0 110.325 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.546 ' N ' ' CD2' ' A' ' 45' ' ' HIS . 2.2 tp -61.21 -36.01 69.79 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.643 0 O-C-N 121.161 -0.962 . . . . 0.0 110.201 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.402 ' N ' HG23 ' A' ' 46' ' ' ILE . 67.6 t80 -54.75 -41.34 70.32 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.241 -0.912 . . . . 0.0 110.006 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -61.96 -33.23 73.91 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.348 -0.845 . . . . 0.0 109.653 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 ' HB ' ' O ' ' A' ' 46' ' ' ILE . 52.4 m -55.79 -36.08 67.0 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.338 -0.851 . . . . 0.0 109.501 179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' TYR . . . . . . . . . . . . . 96.6 m-85 -66.49 -44.4 82.69 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.384 -0.823 . . . . 0.0 109.533 179.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 147.44 -21.84 1.52 Allowed Glycine 0 N--CA 1.49 2.268 0 N-CA-C 109.512 -1.435 . . . . 0.0 109.512 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.306 -1.321 0 O-C-N 119.784 -2.01 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_