data_2ma7_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 2ma7 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.507 0.194 . . . . 73.549999999999997 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 72.5 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 73.5 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 75.120000000000005 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 74.549999999999997 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 73.5 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.420000000000002 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.340000000000003 111.105 176.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.42 ' HB3' HD21 ' A' ' 59' ' ' LEU . 76.2 m-85 . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 121.306 0.574 . . . . 72.200000000000003 110.531 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.010000000000005 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.45 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.019999999999996 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 63.140000000000001 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 75.299999999999997 107.513 173.15 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 75.319999999999993 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.409999999999997 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.530000000000001 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.129999999999995 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.209999999999994 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.430000000000007 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.540000000000006 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 74.319999999999993 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 61.439999999999998 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 75.420000000000002 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 71.310000000000002 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 75.430000000000007 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.439999999999998 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.020000000000003 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 75.329999999999998 109.454 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.510000000000005 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-70 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 75.049999999999997 112.189 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 110.218 -0.289 . . . . 73.109999999999999 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 75.299999999999997 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.200000000000003 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 75.530000000000001 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.349999999999994 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 64.439999999999998 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.140000000000001 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 109.927 173.877 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 66.0 m-85 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.377 0.608 . . . . 63.450000000000003 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 63.119999999999997 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 63.310000000000002 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.420000000000002 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 74.430000000000007 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.739 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.409999999999997 111.869 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.420000000000002 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.509999999999998 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.430000000000007 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.109999999999999 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.450000000000003 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 65.299999999999997 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 75.010000000000005 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.119999999999997 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.349999999999994 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.219999999999999 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 73.450000000000003 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.319999999999993 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 71.329999999999998 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.049999999999997 111.052 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 73.329999999999998 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.409999999999997 110.484 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.214 0.45 . . . . 74.150000000000006 112.214 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.519999999999996 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 74.439999999999998 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 74.150000000000006 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.430000000000007 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 73.010000000000005 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.399999999999999 111.012 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.347 0.594 . . . . 72.25 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 71.239999999999995 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.129999999999995 107.192 166.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 61.350000000000001 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 74.519999999999996 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.414 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.349999999999994 110.144 172.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.329999999999998 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 74.099999999999994 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 70.200000000000003 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.340000000000003 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 65.109999999999999 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.230000000000004 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.420000000000002 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 73.239999999999995 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 74.329999999999998 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.109999999999999 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 74.349999999999994 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 74.409999999999997 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 74.530000000000001 110.22 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.019999999999996 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 . . . . . 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 74.030000000000001 111.706 175.48 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.624 0.231 . . . . 72.230000000000004 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.219999999999999 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.430000000000007 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 73.030000000000001 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.310000000000002 111.739 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 75.409999999999997 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 74.040000000000006 110.696 175.646 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HB3' HD23 ' A' ' 59' ' ' LEU . 61.1 m-85 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 109.537 -0.542 . . . . 65.439999999999998 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 73.040000000000006 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 74.420000000000002 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.109999999999999 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 74.409999999999997 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.100000000000001 110.555 174.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 63.350000000000001 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.420000000000002 111.485 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 71.209999999999994 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.200000000000003 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.482 HG22 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.409999999999997 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.120000000000005 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.530000000000001 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 71.230000000000004 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.230000000000004 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 74.129999999999995 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.310000000000002 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 39.8 t60 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.120000000000005 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 74.230000000000004 111.086 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 72.439999999999998 110.686 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.510000000000005 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.209999999999994 110.822 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.554 1.107 0 CA-C-O 120.301 0.096 . . . . 73.299999999999997 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.540000000000006 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.530000000000001 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 74.150000000000006 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 75.129999999999995 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.510000000000005 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 72.329999999999998 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 74.239999999999995 110.774 173.315 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.682 -0.488 . . . . 75.140000000000001 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 70.420000000000002 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.519999999999996 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.120000000000005 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 72.129999999999995 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.329999999999998 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 75.099999999999994 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.420000000000002 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.239999999999995 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.319999999999993 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 75.230000000000004 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.349999999999994 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.239999999999995 111.429 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 74.239999999999995 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.540000000000006 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.549999999999997 111.346 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 75.349999999999994 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.140000000000001 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.505 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 75.349999999999994 112.247 -176.235 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 75.430000000000007 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.120000000000005 112.251 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 73.519999999999996 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.150000000000006 112.199 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 120.779 0.323 . . . . 74.310000000000002 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 73.010000000000005 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 70.420000000000002 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.019999999999996 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 75.129999999999995 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.219999999999999 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.430000000000007 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 72.319999999999993 111.288 178.68 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HB3' HD21 ' A' ' 59' ' ' LEU . 58.5 m-85 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.032 0.444 . . . . 73.510000000000005 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.140000000000001 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.219999999999999 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 75.310000000000002 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 65.439999999999998 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.583 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.119999999999997 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 74.230000000000004 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.219999999999999 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 73.099999999999994 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.209999999999994 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 72.420000000000002 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.349999999999994 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.219999999999999 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.019999999999996 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.439999999999998 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.329999999999998 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.030000000000001 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 59' ' ' LEU . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 74.140000000000001 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.499 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.409999999999997 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.530000000000001 110.603 168.496 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.246 0.546 . . . . 64.409999999999997 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.439999999999998 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 74.420000000000002 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.510000000000005 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.409999999999997 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.519999999999996 111.373 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.530000000000001 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.450000000000003 111.752 -173.804 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.563 ' HA ' HD23 ' A' ' 59' ' ' LEU . 94.1 m-85 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 111.797 0.295 . . . . 64.109999999999999 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 71.319999999999993 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.349999999999994 110.26 175.603 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.340000000000003 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 73.519999999999996 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.683 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 52.340000000000003 112.543 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 74.140000000000001 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.209999999999994 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 73.530000000000001 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.299999999999997 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.595 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 72.230000000000004 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.595 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.129999999999995 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 75.540000000000006 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 53.43 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 73.439999999999998 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.099999999999994 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 74.25 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 75.549999999999997 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 73.209999999999994 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.140000000000001 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 71.340000000000003 109.96 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.099999999999994 110.864 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 72.030000000000001 110.323 174.391 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 112.429 0.529 . . . . 73.019999999999996 112.429 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 73.209999999999994 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 74.319999999999993 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.219999999999999 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 75.099999999999994 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 75.040000000000006 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.420000000000002 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.329999999999998 110.435 175.653 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 . . . . . 0 C--O 1.214 -0.805 0 N-CA-C 109.802 -0.444 . . . . 75.329999999999998 109.802 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.200000000000003 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.109999999999999 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.109999999999999 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.430000000000007 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.140000000000001 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 74.239999999999995 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.420000000000002 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 70.129999999999995 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 75.230000000000004 109.672 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 74.019999999999996 109.455 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 73.329999999999998 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.420000000000002 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.230000000000004 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.519999999999996 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 74.25 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 72.329999999999998 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.509 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 73.109999999999999 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 71.299999999999997 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 23.8 m-70 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.109999999999999 111.084 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 112.024 0.379 . . . . 71.299999999999997 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.420000000000002 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.310000000000002 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.540000000000006 110.452 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 75.129999999999995 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.230000000000004 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.200000000000003 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.420000000000002 111.661 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.019999999999996 109.701 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.019999999999996 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 75.109999999999999 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.439999999999998 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.591 ' SG ' ' NE2' ' A' ' 62' ' ' HIS . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 111.945 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 73.109999999999999 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 63.109999999999999 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 53.149999999999999 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.340000000000003 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 73.420000000000002 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.239999999999995 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 75.230000000000004 110.153 168.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.439999999999998 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 71.510000000000005 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.030000000000001 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 74.209999999999994 111.085 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.477 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.450000000000003 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.591 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 73.019999999999996 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.219999999999999 111.624 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 74.409999999999997 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 111.48 0.178 . . . . 74.239999999999995 111.48 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.439999999999998 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.403 ' N ' HD13 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 72.329999999999998 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.510000000000005 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.43 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 72.230000000000004 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.519999999999996 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.340000000000003 111.686 -179.247 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 122.08 0.943 . . . . 72.340000000000003 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 74.319999999999993 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.350000000000001 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.219999999999999 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.439999999999998 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 71.319999999999993 110.989 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.519999999999996 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.340000000000003 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 74.040000000000006 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 75.299999999999997 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 73.519999999999996 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.530000000000001 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.040000000000006 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.209999999999994 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 72.200000000000003 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 74.540000000000006 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 71.530000000000001 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.540000000000006 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.439999999999998 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 75.349999999999994 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 75.310000000000002 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.209999999999994 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.340000000000003 110.345 173.212 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 75.340000000000003 110.19 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.200000000000003 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.445 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 75.409999999999997 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 75.230000000000004 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.530000000000001 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HZ2' ' HB2' ' A' ' 35' ' ' LYS . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 75.310000000000002 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.450000000000003 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 71.109999999999999 111.036 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 59' ' ' LEU . 79.4 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.218 -0.29 . . . . 73.030000000000001 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.239999999999995 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.425 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.200000000000003 108.535 170.386 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.120000000000005 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.219999999999999 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.436 ' SG ' ' NE2' ' A' ' 62' ' ' HIS . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.340000000000003 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.420000000000002 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.549999999999997 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.420000000000002 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.450000000000003 111.546 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 74.030000000000001 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 74.109999999999999 109.856 173.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 65.120000000000005 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 62.119999999999997 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.329999999999998 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.450000000000003 110.566 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 70.439999999999998 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.436 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.519999999999996 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.400000000000006 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 73.230000000000004 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 71.129999999999995 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.425 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 33.8 p80 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.209999999999994 111.524 176.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.684 0.624 . . . . 75.310000000000002 112.684 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 74.5 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 74.340000000000003 110.115 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.530000000000001 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 72.140000000000001 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 74.519999999999996 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 73.329999999999998 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 64.030000000000001 110.583 170.997 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.405 ' HB3' HD23 ' A' ' 59' ' ' LEU . 95.9 m-85 . . . . . 0 C--O 1.2 -1.514 0 CA-C-O 118.793 -0.623 . . . . 73.040000000000006 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.319999999999993 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.200000000000003 112.049 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.310000000000002 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.109999999999999 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.040000000000006 109.698 173.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.349999999999994 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.299999999999997 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 64.540000000000006 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 74.030000000000001 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.150000000000006 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 75.450000000000003 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 72.239999999999995 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 63.200000000000003 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 74.329999999999998 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.209999999999994 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.239999999999995 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.4 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.310000000000002 111.89 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.030000000000001 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.329999999999998 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.340000000000003 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 75.120000000000005 111.417 175.613 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.412 ' HA ' HG11 ' A' ' 33' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.686 0.279 . . . . 65.310000000000002 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.450000000000003 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.230000000000004 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 74.430000000000007 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.420000000000002 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.150000000000006 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 73.129999999999995 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.340000000000003 112.386 177.536 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 120.786 0.326 . . . . 74.239999999999995 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 73.409999999999997 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.540000000000006 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 75.219999999999999 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.81 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.099999999999994 109.256 170.646 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.520000000000003 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 52.020000000000003 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 75.340000000000003 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.430000000000007 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.040000000000006 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HG2' HG21 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.340000000000003 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.541 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 72.519999999999996 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.130000000000003 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.129999999999995 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.120000000000005 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.109999999999999 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 74.510000000000005 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 75.030000000000001 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 74.109999999999999 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 75.430000000000007 110.463 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 75.239999999999995 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.567 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 46.5 m-70 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 75.109999999999999 111.779 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.644 0.259 . . . . 75.150000000000006 110.686 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.430000000000007 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 74.310000000000002 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 72.109999999999999 110.305 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 74.319999999999993 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 75.530000000000001 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.530000000000001 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.340000000000003 113.059 -173.55 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' HD23 ' A' ' 59' ' ' LEU . 93.3 m-85 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.424 0.63 . . . . 74.420000000000002 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.140000000000001 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.030000000000001 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 71.430000000000007 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.439999999999998 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.416 ' SG ' ' NE2' ' A' ' 62' ' ' HIS . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.129999999999995 110.638 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.039999999999999 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.109999999999999 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 72.040000000000006 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.230000000000004 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.543 HG22 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 75.310000000000002 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HG2' HG22 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.430000000000007 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.499 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 64.150000000000006 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.439999999999998 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.418 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 73.430000000000007 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 74.519999999999996 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.499 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.049999999999997 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 HD13 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.540000000000006 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.416 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 73.400000000000006 111.945 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.430000000000007 111.234 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.420000000000002 110.902 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.428 HD13 HH11 ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 . . . . . 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.140000000000001 111.48 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.298 0.481 . . . . 75.299999999999997 112.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 75.409999999999997 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 64.420000000000002 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 74.109999999999999 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 72.540000000000006 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 71.409999999999997 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 75.530000000000001 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 110.648 176.879 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.669 0.271 . . . . 73.340000000000003 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 75.010000000000005 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.120000000000005 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.549999999999997 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 74.319999999999993 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.119999999999997 113.494 -169.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.549999999999997 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 73.099999999999994 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.439999999999998 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 73.230000000000004 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 74.239999999999995 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.200000000000003 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 72.319999999999993 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 75.109999999999999 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 75.329999999999998 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.430000000000007 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.340000000000003 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.439999999999998 111.297 -175.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 75.140000000000001 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 75.129999999999995 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 74.340000000000003 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 . . . . . 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 75.129999999999995 112.883 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 119.613 -0.232 . . . . 74.310000000000002 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 73.140000000000001 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 73.519999999999996 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 72.040000000000006 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 74.230000000000004 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 71.019999999999996 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.239999999999995 112.081 -179.162 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB3' HD23 ' A' ' 59' ' ' LEU . 82.6 m-85 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 73.129999999999995 109.796 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.319999999999993 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 75.120000000000005 108.151 165.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 62.140000000000001 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.010000000000005 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.009999999999998 108.38 169.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 71.109999999999999 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 74.219999999999999 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.299999999999997 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.420000000000002 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 72.019999999999996 110.173 171.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.150000000000006 108.79 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 74.400000000000006 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.129999999999995 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.019999999999996 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.430000000000007 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.150000000000006 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.099999999999994 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.209999999999994 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 74.219999999999999 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.540000000000006 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.445 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 . . . . . 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.025 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 112.363 0.505 . . . . 74.420000000000002 112.363 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 75.030000000000001 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 75.450000000000003 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.239999999999995 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.209999999999994 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.420000000000002 111.064 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 75.319999999999993 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 75.519999999999996 111.669 -178.087 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.2 m-85 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.659 0.266 . . . . 74.430000000000007 110.977 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 74.5 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 73.319999999999993 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.239999999999995 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.420000000000002 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.530000000000001 110.205 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.129999999999995 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.409999999999997 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 75.319999999999993 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.010000000000005 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 73.150000000000006 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.409999999999997 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.530000000000001 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 74.129999999999995 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 74.129999999999995 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.200000000000003 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 73.409999999999997 110.835 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.485 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.530000000000001 110.969 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 71.209999999999994 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 73.409999999999997 110.992 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 73.319999999999993 112.506 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 . . . . . 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 111.353 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 112.49 0.552 . . . . 75.219999999999999 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.140000000000001 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 73.040000000000006 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.219999999999999 110.506 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 71.219999999999999 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 75.340000000000003 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.430000000000007 110.173 179.198 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.222 0.534 . . . . 72.209999999999994 109.759 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.129999999999995 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.530000000000001 109.031 166.028 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 72.519999999999996 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 74.409999999999997 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.319999999999993 110.486 164.397 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.319999999999993 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 75.019999999999996 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 73.140000000000001 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.120000000000005 109.002 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.409999999999997 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 65.140000000000001 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 71.019999999999996 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.119999999999997 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 72.230000000000004 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.519999999999996 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.430000000000007 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.219999999999999 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.508 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.409999999999997 110.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.120000000000005 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.439999999999998 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.530000000000001 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.109999999999999 111.06 177.317 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 HD23 ' A' ' 31' ' ' LEU . 12.2 m . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 112.722 0.638 . . . . 74.219999999999999 112.722 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.349999999999994 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 75.129999999999995 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.120000000000005 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.099999999999994 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.340000000000003 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.399999999999999 110.7 171.498 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.865 0.84 . . . . 74.409999999999997 111.585 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.329999999999998 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.587 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.349999999999994 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.129999999999995 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.120000000000005 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.219999999999999 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.439999999999998 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.430000000000007 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.099999999999994 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.209999999999994 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 63.340000000000003 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.530000000000001 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 73.439999999999998 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.520000000000003 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 74.030000000000001 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.430000000000007 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.019999999999996 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.209999999999994 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.540000000000006 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 73.5 110.743 174.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 71.209999999999994 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 . . . . . 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.209999999999994 111.363 171.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.428 ' HA ' HG13 ' A' ' 33' ' ' VAL . 34.5 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.041 0.386 . . . . 71.239999999999995 112.041 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.230000000000004 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 74.310000000000002 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.209999999999994 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 73.409999999999997 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 74.519999999999996 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 75.099999999999994 111.222 -174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.310000000000002 111.079 -179.111 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 122.016 0.912 . . . . 72.530000000000001 109.826 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' HIS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 74.219999999999999 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.109999999999999 109.46 173.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.510000000000005 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.219999999999999 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.319999999999993 109.3 168.654 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 71.319999999999993 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 73.019999999999996 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 75.420000000000002 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.420000000000002 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.209999999999994 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 65.200000000000003 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.310000000000002 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.040000000000006 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.019999999999996 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.409999999999997 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.319999999999993 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 73.120000000000005 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 75.230000000000004 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.239999999999995 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.519999999999996 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.3 m-70 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.219999999999999 111.451 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.49 -0.559 . . . . 71.25 109.49 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.78 177.82 28.19 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.111 -0.495 . . . . 73.420000000000002 112.868 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -136.03 134.93 39.01 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.792 0.837 . . . . 75.040000000000006 110.034 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -152.97 122.93 6.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.829 0.851 . . . . 62.420000000000002 109.069 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -100.41 161.86 13.33 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.352 0.661 . . . . 74.409999999999997 110.403 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -143.8 104.88 4.23 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.685 0.794 . . . . 72.329999999999998 109.342 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -171.25 93.04 0.16 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.165 0.986 . . . . 74.409999999999997 109.941 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -141.94 84.1 1.87 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 107.491 -1.299 . . . . 75.230000000000004 107.491 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.5 t -91.99 128.24 37.75 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.733 -1.122 . . . . 62.140000000000001 111.376 -169.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -140.53 129.72 23.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.278 1.031 . . . . 73.120000000000005 108.558 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.0 ptm -136.38 146.14 54.71 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 122.972 0.509 . . . . 72.239999999999995 109.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.85 159.83 41.35 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.181 1.92 . . . . 64.140000000000001 112.495 174.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.29 169.45 20.62 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.43 1.092 . . . . 64.329999999999998 109.511 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.23 165.95 40.95 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.085 -0.507 . . . . 75.230000000000004 112.574 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -144.28 178.75 7.69 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.552 1.141 . . . . 73.140000000000001 109.126 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.41 158.2 16.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.209 0.604 . . . . 74.329999999999998 110.705 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -101.75 138.42 38.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.508 0.723 . . . . 74.340000000000003 109.502 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -145.78 27.11 1.22 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.961 0.904 . . . . 73.540000000000006 109.857 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.62 130.17 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.599 1.16 . . . . 70.230000000000004 111.822 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -78.64 130.97 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 122.914 0.485 . . . . 74.019999999999996 110.592 -172.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.1 m -146.55 91.11 2.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.787 0.835 . . . . 72.420000000000002 109.261 -176.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.3 52.27 0.13 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 111.403 -0.679 . . . . 72.409999999999997 111.403 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.3 mpt? -80.59 130.3 35.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.715 0.806 . . . . 73.219999999999999 109.23 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.26 137.94 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.486 0.714 . . . . 75.450000000000003 110.05 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.9 p -90.13 159.38 16.81 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.367 0.667 . . . . 70.319999999999993 110.29 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.3 147.3 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.363 1.065 . . . . 70.540000000000006 108.249 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.87 156.18 15.77 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.512 -0.604 . . . . 70.109999999999999 112.004 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.68 173.52 14.36 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.661 2.241 . . . . 75.349999999999994 111.311 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -73.26 89.3 1.55 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.102 -0.703 . . . . 71.239999999999995 109.102 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.59 -27.34 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.129 0.971 . . . . 73.549999999999997 110.853 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 72.5 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 73.5 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 75.120000000000005 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 74.549999999999997 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 73.5 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.420000000000002 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m -66.06 -35.44 80.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.340000000000003 111.105 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -76.46 -23.82 53.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.614 . . . . 72.019999999999996 111.802 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.1 m -73.32 129.52 38.2 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.011 -0.737 . . . . 55.409999999999997 109.011 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.98 -76.25 0.26 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 123.721 0.638 . . . . 74.219999999999999 113.15 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.12 -42.2 0.13 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.144 0.978 . . . . 74.430000000000007 109.177 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -106.49 117.09 57.93 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.194 0.998 . . . . 73.540000000000006 108.447 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.86 103.6 0.5 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.253 1.969 . . . . 71.120000000000005 110.34 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.42 ' HB3' HD21 ' A' ' 59' ' ' LEU . 76.2 m-85 -73.26 79.06 1.31 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.699 0.8 . . . . 72.200000000000003 110.531 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.010000000000005 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.615 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.019999999999996 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 63.140000000000001 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 75.299999999999997 107.513 173.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.45 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 75.319999999999993 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.409999999999997 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.530000000000001 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.129999999999995 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.209999999999994 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.430000000000007 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.540000000000006 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 74.319999999999993 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 61.439999999999998 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD21 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 75.420000000000002 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 71.310000000000002 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 75.430000000000007 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.439999999999998 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.020000000000003 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.505 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 75.329999999999998 109.454 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.510000000000005 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -64.5 -34.15 77.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 75.049999999999997 112.189 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -75.01 160.2 30.83 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 123.467 0.479 . . . . 71.340000000000003 110.543 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.39 -10.09 56.48 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.6 0.6 . . . . 64.140000000000001 114.6 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -179.03 5.62 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.129 0.972 . . . . 64.010000000000005 109.29 174.644 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.505 ' HD3' ' HG2' ' A' ' 64' ' ' LYS . 0.9 OUTLIER 72.36 131.73 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 124.62 1.168 . . . . 73.030000000000001 111.615 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.45 143.07 46.46 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.339 2.026 . . . . 74.5 111.035 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -88.64 93.08 9.44 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.477 -0.934 . . . . 70.239999999999995 108.477 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.341 0 C-N-CA 124.799 1.24 . . . . 75.120000000000005 109.59 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.615 'ZN ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.446 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 108.862 -0.792 . . . . 74.140000000000001 108.862 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.79 163.33 23.8 Favored Glycine 0 C--N 1.34 0.795 0 N-CA-C 111.744 -0.542 . . . . 73.049999999999997 111.744 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -138.0 119.8 15.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.243 0.617 . . . . 74.450000000000003 109.489 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -159.32 131.46 6.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.954 0.901 . . . . 72.140000000000001 108.767 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -138.02 177.18 8.07 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.631 0.772 . . . . 71.099999999999994 109.914 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -153.75 144.2 22.36 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.429 -0.805 . . . . 70.349999999999994 108.914 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -163.98 72.03 0.24 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.803 0.811 . . . . 75.129999999999995 109.773 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -128.99 82.75 2.1 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.304 -0.862 . . . . 72.519999999999996 108.868 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 p -147.91 103.97 3.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.189 0.595 . . . . 74.430000000000007 109.71 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -137.86 95.97 3.14 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 107.039 -1.467 . . . . 73.030000000000001 107.039 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.473 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.1 mpt? -63.17 108.07 1.56 Allowed Pre-proline 0 N--CA 1.476 0.826 0 O-C-N 124.899 1.375 . . . . 71.409999999999997 111.614 -167.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.81 142.1 7.72 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 122.411 2.074 . . . . 73.420000000000002 112.152 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -151.48 161.96 41.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.345 0.658 . . . . 75.420000000000002 109.701 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -169.74 38.39 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 116.068 -0.514 . . . . 74.230000000000004 111.837 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 61.62 29.87 18.37 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.573 1.149 . . . . 73.230000000000004 112.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.48 95.36 3.85 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.134 -0.691 . . . . 75.420000000000002 109.134 173.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -155.67 147.14 22.82 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 73.400000000000006 110.341 -174.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -144.94 77.83 1.54 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.746 0.818 . . . . 74.439999999999998 109.447 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.69 115.06 22.47 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.667 -1.151 . . . . 61.509999999999998 110.431 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -127.6 107.17 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.354 0.662 . . . . 73.150000000000006 109.794 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -155.7 100.79 2.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.181 0.593 . . . . 71.549999999999997 109.795 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.68 31.42 4.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.976 -0.556 . . . . 52.310000000000002 112.82 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -72.2 99.76 2.43 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.562 0.696 . . . . 75.25 109.746 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -110.72 154.43 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.814 -0.63 . . . . 74.109999999999999 110.51 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -105.72 136.34 45.51 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.579 -0.897 . . . . 72.209999999999994 108.579 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.55 143.79 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.561 -0.533 . . . . 73.340000000000003 109.561 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 72.97 0.04 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.423 -0.671 . . . . 70.230000000000004 111.423 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.1 121.83 7.18 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.89 2.394 . . . . 74.519999999999996 111.766 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.53 65.95 8.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.368 1.08 . . . . 72.510000000000005 108.408 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.3 -24.48 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.45 -1.25 . . . . 73.109999999999999 110.218 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 75.299999999999997 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.200000000000003 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 75.530000000000001 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.349999999999994 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 64.439999999999998 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.140000000000001 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t -73.21 -37.84 66.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 109.927 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -65.43 -33.46 76.01 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.81 -0.632 . . . . 74.230000000000004 110.515 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.8 m -61.2 -56.67 18.01 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.875 0.734 . . . . 74.530000000000001 110.475 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.06 -84.09 0.12 Allowed Glycine 0 C--N 1.351 1.393 0 O-C-N 123.987 0.804 . . . . 71.310000000000002 112.126 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.08 113.58 8.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.958 0.903 . . . . 74.420000000000002 110.54 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -110.8 156.05 41.32 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 123.588 0.755 . . . . 75.129999999999995 109.097 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.1 110.07 1.09 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.739 1.626 . . . . 75.120000000000005 110.65 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.534 ' HB3' HD21 ' A' ' 59' ' ' LEU . 66.0 m-85 -73.17 84.46 1.35 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.603 0.761 . . . . 63.450000000000003 109.971 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.521 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 63.119999999999997 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 63.310000000000002 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.420000000000002 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 74.430000000000007 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.409999999999997 111.869 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.420000000000002 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.509999999999998 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.521 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.430000000000007 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.109999999999999 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.450000000000003 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 65.299999999999997 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 75.010000000000005 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.119999999999997 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.349999999999994 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.534 HD21 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.219999999999999 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 73.450000000000003 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.319999999999993 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 71.329999999999998 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.513 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.4 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.049999999999997 111.052 174.502 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 73.329999999999998 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.513 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 -98.31 31.62 2.74 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.409999999999997 110.484 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.6 t 72.66 -171.29 0.14 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.374 1.07 . . . . 72.420000000000002 110.744 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.422 ' HA2' ' HZ3' ' A' ' 70' ' ' LYS . . . -64.09 -26.68 70.52 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 116.41 -0.359 . . . . 32.420000000000002 113.293 178.514 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -82.81 80.65 8.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.389 1.076 . . . . 71.040000000000006 108.979 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.475 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 8.8 ptpp? -120.62 145.57 41.27 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 123.026 0.53 . . . . 74.140000000000001 110.714 -173.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.35 134.62 25.05 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.344 2.029 . . . . 73.430000000000007 111.732 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -153.79 -54.9 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.147 -0.686 . . . . 74.540000000000006 109.147 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.542 0.737 . . . . 71.040000000000006 110.6 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.41 -0.589 . . . . 72.329999999999998 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.04 148.43 19.66 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 112.361 -0.295 . . . . 71.319999999999993 112.361 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -100.06 23.52 9.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.615 0.766 . . . . 74.239999999999995 109.767 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -59.52 111.37 1.38 Allowed 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.384 1.074 . . . . 75.540000000000006 111.104 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -138.41 151.02 47.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.794 0.838 . . . . 74.230000000000004 109.319 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -128.66 122.45 30.84 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.029 -0.73 . . . . 75.400000000000006 109.029 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -74.18 95.2 2.56 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.727 0.642 . . . . 74.450000000000003 109.395 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -76.32 109.32 9.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.062 0.545 . . . . 74.219999999999999 110.467 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -151.54 145.82 25.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.871 0.868 . . . . 74.25 110.178 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -152.81 136.94 16.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.087 1.355 . . . . 71.329999999999998 108.221 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.5 tpt -122.44 95.95 46.42 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 122.737 0.415 . . . . 73.420000000000002 110.875 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.73 145.75 11.63 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.411 2.074 . . . . 74.219999999999999 111.431 168.243 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -90.06 162.49 15.31 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.598 -0.519 . . . . 75.549999999999997 109.598 169.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.95 90.72 0.13 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 112.176 -0.37 . . . . 74.430000000000007 112.176 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -123.25 118.31 27.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.3 -1.0 . . . . 71.519999999999996 108.3 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.73 99.62 9.6 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.576 0.75 . . . . 74.430000000000007 109.098 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -70.97 92.84 0.95 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.322 -0.992 . . . . 73.310000000000002 108.322 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.84 99.99 9.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.037 0.935 . . . . 74.329999999999998 108.802 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.06 119.41 28.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.433 0.693 . . . . 63.310000000000002 110.093 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -103.87 131.0 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.6 0.76 . . . . 73.409999999999997 109.929 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -117.27 81.36 1.63 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.783 0.833 . . . . 74.140000000000001 109.741 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.33 86.02 1.46 Allowed Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.609 -0.596 . . . . 64.430000000000007 111.609 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 ptp -158.26 175.52 13.64 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.987 0.915 . . . . 62.5 110.588 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t 58.01 88.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.651 1.18 . . . . 74.0 111.895 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.8 t -65.97 151.07 47.6 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.73 -0.668 . . . . 74.420000000000002 111.089 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 tp -144.91 159.0 14.07 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 C-N-CA 124.132 0.973 . . . . 74.439999999999998 108.986 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.54 91.35 1.9 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.268 -0.733 . . . . 73.329999999999998 111.268 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.08 178.45 5.29 Favored 'Trans proline' 0 C--N 1.37 1.666 0 C-N-CA 122.937 2.425 . . . . 72.219999999999999 112.063 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.34 30.09 0.91 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.169 0.588 . . . . 75.420000000000002 110.989 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m -62.82 -28.91 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.551 0.74 . . . . 74.150000000000006 112.214 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.519999999999996 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 74.439999999999998 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 74.150000000000006 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.430000000000007 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 73.010000000000005 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t -68.08 -29.04 67.89 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.399999999999999 111.012 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -103.19 22.85 13.34 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.997 0.919 . . . . 75.340000000000003 110.824 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 m -75.65 87.17 2.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.443 0.64 . . . . 63.549999999999997 109.683 176.31 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.81 45.37 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.308 -0.86 . . . . 75.420000000000002 111.809 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.82 104.26 8.26 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.337 0.655 . . . . 74.340000000000003 109.842 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.562 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.5 112.11 3.85 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.261 1.024 . . . . 73.040000000000006 110.697 170.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.87 83.45 1.79 Allowed 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.86 2.373 . . . . 74.25 112.49 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -100.11 60.31 1.05 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.305 -0.862 . . . . 72.25 109.619 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 71.239999999999995 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.632 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.129999999999995 107.192 166.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 61.350000000000001 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 74.519999999999996 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.647 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.349999999999994 110.144 172.734 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.329999999999998 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 74.099999999999994 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 70.200000000000003 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.340000000000003 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 65.109999999999999 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.230000000000004 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.420000000000002 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 73.239999999999995 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 74.329999999999998 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.501 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.109999999999999 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 74.349999999999994 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 74.409999999999997 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.678 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 74.530000000000001 110.22 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.019999999999996 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.8 -38.23 89.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 74.030000000000001 111.706 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -84.97 0.05 52.68 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.383 -0.826 . . . . 71.230000000000004 111.744 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.76 49.4 63.97 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.962 -0.855 . . . . 72.230000000000004 110.962 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.678 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 39.5 tt0 70.11 139.3 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.864 1.666 . . . . 73.230000000000004 110.8 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.498 ' HG2' ' HG3' ' A' ' 64' ' ' LYS . 15.5 ptmt -147.33 154.23 45.32 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.092 0.557 . . . . 75.340000000000003 110.55 -174.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.38 63.96 5.43 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.216 2.611 . . . . 74.310000000000002 112.799 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -86.23 104.77 16.08 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.683 -0.689 . . . . 73.5 109.193 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.544 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 11.4 mmpt? . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.456 -0.783 . . . . 73.340000000000003 108.976 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.647 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.754 -0.462 . . . . 72.219999999999999 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.4 56.02 0.17 Allowed Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.425 -0.67 . . . . 74.209999999999994 111.425 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -84.75 121.22 27.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.797 0.839 . . . . 72.530000000000001 110.298 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -71.29 132.52 45.03 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.609 -0.515 . . . . 74.439999999999998 109.609 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -157.65 105.39 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.888 -0.782 . . . . 75.019999999999996 108.888 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -71.17 153.34 42.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 122.988 0.515 . . . . 72.439999999999998 109.706 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -103.53 -164.27 1.06 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.601 0.76 . . . . 72.349999999999994 110.645 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.84 165.63 19.38 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.718 0.77 . . . . 74.530000000000001 113.071 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -138.78 -174.14 3.75 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.191 1.396 . . . . 75.420000000000002 108.869 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -144.46 117.54 8.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.345 1.058 . . . . 75.010000000000005 108.33 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.7 mtp -126.54 87.86 55.54 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.273 0.629 . . . . 75.450000000000003 110.381 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.72 108.08 2.56 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.646 2.23 . . . . 75.540000000000006 111.373 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -91.19 135.54 33.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.529 0.732 . . . . 71.239999999999995 110.715 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.68 -174.92 54.94 Favored Glycine 0 C--N 1.341 0.86 0 O-C-N 123.761 0.663 . . . . 75.310000000000002 113.635 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 153.65 17.14 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.438 1.095 . . . . 74.329999999999998 108.686 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -108.58 -172.07 1.98 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.277 -0.638 . . . . 73.030000000000001 109.277 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -114.44 145.29 42.05 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.433 -0.951 . . . . 71.129999999999995 108.433 174.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -126.58 78.33 1.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.923 0.889 . . . . 70.340000000000003 109.523 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 123.16 28.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.321 -0.854 . . . . 73.019999999999996 110.524 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.67 108.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.029 0.931 . . . . 74.409999999999997 108.72 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.458 ' HB2' ' HG2' ' A' ' 23' ' ' MET . 27.5 p -99.65 129.57 45.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.723 0.809 . . . . 44.539999999999999 109.963 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.31 1.7 88.28 Favored Glycine 0 C--N 1.347 1.151 0 C-N-CA 122.702 0.191 . . . . 74.230000000000004 113.225 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.458 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 27.1 ptt? -76.06 4.76 7.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.183 0.993 . . . . 74.319999999999993 112.283 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.8 -26.09 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.109 0.963 . . . . 73.010000000000005 111.971 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.18 115.29 27.24 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.428 -0.953 . . . . 72.120000000000005 108.428 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 pt -117.12 167.21 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.579 0.752 . . . . 74.129999999999995 109.722 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.77 110.9 0.63 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.152 -1.179 . . . . 54.299999999999997 110.152 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.526 ' HB2' HG13 ' A' ' 30' ' ' VAL . 24.3 Cg_exo -64.5 134.8 42.97 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.684 2.256 . . . . 72.140000000000001 112.298 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.36 -3.53 14.53 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.788 1.235 . . . . 73.120000000000005 111.967 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.526 HG13 ' HB2' ' A' ' 28' ' ' PRO . 14.1 p -52.42 -30.63 14.38 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 124.491 1.116 . . . . 72.230000000000004 111.624 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.219999999999999 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.430000000000007 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 73.030000000000001 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.508 ' HA ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.310000000000002 111.739 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 75.409999999999997 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.9 -36.09 31.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 74.040000000000006 110.696 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.508 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 48.6 t-80 -76.66 88.21 3.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.952 0.901 . . . . 74.420000000000002 110.0 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -156.02 169.93 23.32 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.867 -1.06 . . . . 74.319999999999993 109.48 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.85 37.28 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.347 -0.301 . . . . 75.099999999999994 112.347 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.97 106.99 7.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.533 -0.914 . . . . 71.349999999999994 108.533 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -80.68 150.66 70.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 123.797 0.839 . . . . 73.450000000000003 111.661 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.23 92.8 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.601 2.201 . . . . 75.340000000000003 111.152 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.468 ' HB3' HD23 ' A' ' 59' ' ' LEU . 61.1 m-85 -72.35 135.37 45.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.265 -0.88 . . . . 65.439999999999998 109.537 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 73.040000000000006 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 74.420000000000002 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.109999999999999 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 74.409999999999997 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.100000000000001 110.555 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 63.350000000000001 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.420000000000002 111.485 177.18 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 71.209999999999994 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.41 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.200000000000003 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.482 HG22 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.482 ' HG2' HG22 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.409999999999997 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.120000000000005 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.530000000000001 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.419 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 71.230000000000004 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.468 HD23 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.230000000000004 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 74.129999999999995 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.310000000000002 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 39.8 t60 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.120000000000005 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 74.230000000000004 111.086 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.607 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 72.439999999999998 110.686 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.510000000000005 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 -62.76 -41.1 99.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.209999999999994 110.822 171.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -117.14 21.16 13.37 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.504 0.722 . . . . 55.240000000000002 110.709 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.55 -80.24 1.32 Allowed Glycine 0 C--N 1.35 1.326 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 112.0 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -125.31 27.34 6.62 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.34 1.056 . . . . 65.120000000000005 110.36 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.607 ' HD2' ' HA ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 68.76 173.63 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 124.131 0.972 . . . . 75.010000000000005 110.018 -173.83 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -48.46 111.7 0.49 Allowed 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 122.187 1.925 . . . . 73.420000000000002 112.432 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -64.28 -26.16 68.37 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.96 -1.018 . . . . 74.010000000000005 111.759 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.458 1.103 . . . . 71.530000000000001 108.509 177.888 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.409 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.217 -0.66 . . . . 72.109999999999999 109.217 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.24 155.64 19.84 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 113.311 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -160.23 156.34 26.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.374 1.07 . . . . 65.140000000000001 109.696 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 60.51 88.38 0.08 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.865 1.266 . . . . 73.530000000000001 111.479 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -144.62 99.3 3.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.574 -0.528 . . . . 75.25 109.574 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -138.04 122.49 18.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.7 -0.852 . . . . 72.150000000000006 108.7 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.24 108.79 4.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.36 0.664 . . . . 75.219999999999999 109.76 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.9 126.69 9.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.615 1.166 . . . . 63.32 108.235 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -143.14 100.57 3.66 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.253 0.621 . . . . 73.430000000000007 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -146.09 135.5 23.0 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.499 -0.926 . . . . 75.209999999999994 108.499 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.6 mtt -117.84 111.46 39.21 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.645 0.778 . . . . 75.420000000000002 110.55 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -61.86 114.0 2.1 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.737 2.291 . . . . 74.010000000000005 112.553 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -137.34 154.27 50.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.813 0.845 . . . . 71.340000000000003 110.666 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.9 72.4 0.02 OUTLIER Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.164 -0.471 . . . . 71.230000000000004 112.123 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -88.75 142.83 27.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.622 0.769 . . . . 72.030000000000001 109.495 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -172.69 143.46 1.29 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.558 1.143 . . . . 75.219999999999999 108.446 -171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -154.51 98.37 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.374 0.67 . . . . 74.430000000000007 109.679 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -166.65 91.67 0.43 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.98 0.912 . . . . 63.409999999999997 109.588 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.62 104.95 3.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.459 0.704 . . . . 73.430000000000007 109.466 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . 0.415 HG23 ' HE2' ' A' ' 23' ' ' MET . 30.7 m -100.39 164.78 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.988 0.915 . . . . 74.209999999999994 110.953 178.247 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -160.23 128.87 4.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.675 0.79 . . . . 73.5 109.965 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.57 25.4 25.69 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 116.436 -0.347 . . . . 72.140000000000001 112.774 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.494 ' HG2' HG21 ' A' ' 24' ' ' VAL . 46.9 ttm -82.16 136.9 35.07 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.052 -0.722 . . . . 74.219999999999999 109.052 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.494 HG21 ' HG2' ' A' ' 23' ' ' MET . 58.0 t 61.8 80.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 C-N-CA 124.232 1.013 . . . . 71.329999999999998 110.576 -177.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.5 t -169.54 79.5 0.11 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.852 0.861 . . . . 73.209999999999994 109.316 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -159.87 130.17 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.933 0 CA-C-N 115.272 -0.877 . . . . 74.340000000000003 108.948 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.36 136.97 6.17 Favored Glycine 0 C--N 1.336 0.538 0 CA-C-O 118.013 -1.437 . . . . 72.540000000000006 109.799 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.81 111.2 0.46 Allowed 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.19 2.593 . . . . 64.430000000000007 113.879 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -65.22 -24.21 67.28 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.984 0.913 . . . . 74.439999999999998 110.483 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.47 -32.99 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.453 0.701 . . . . 73.299999999999997 110.873 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.540000000000006 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.530000000000001 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 74.150000000000006 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 75.129999999999995 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.510000000000005 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 72.329999999999998 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -75.72 -33.81 60.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 74.239999999999995 110.774 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -89.13 -24.8 22.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.917 0.487 . . . . 71.099999999999994 111.775 -174.433 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 p -70.35 95.18 1.0 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.602 -0.518 . . . . 74.310000000000002 109.602 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.29 -55.26 4.74 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.699 -0.682 . . . . 61.329999999999998 113.121 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.22 78.09 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.155 0.982 . . . . 73.030000000000001 108.606 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.5 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -115.35 102.89 54.57 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 114.657 -1.156 . . . . 73.150000000000006 109.609 -173.906 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.05 91.09 0.74 Allowed 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 122.201 1.934 . . . . 75.530000000000001 111.442 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.36 123.74 17.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.332 -0.849 . . . . 75.140000000000001 109.682 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 70.420000000000002 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.519999999999996 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.120000000000005 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 72.129999999999995 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.329999999999998 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 75.099999999999994 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.420000000000002 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.239999999999995 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.319999999999993 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 75.230000000000004 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.349999999999994 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.239999999999995 111.429 178.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 74.239999999999995 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.540000000000006 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.549999999999997 111.346 -176.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 75.349999999999994 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.140000000000001 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 75.349999999999994 112.247 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.578 HG23 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 75.430000000000007 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.120000000000005 112.251 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 73.519999999999996 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 -107.19 5.48 27.79 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.150000000000006 112.199 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -61.36 -34.57 75.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.952 0.501 . . . . 73.5 110.916 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.92 45.27 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.847 -0.615 . . . . 72.430000000000007 111.64 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 58.61 83.47 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.827 0.851 . . . . 71.209999999999994 110.5 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -121.74 158.73 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 123.529 0.732 . . . . 74.230000000000004 110.65 -176.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.02 119.68 5.69 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.586 2.857 . . . . 70.310000000000002 112.707 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -49.44 -60.15 3.1 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.159 1.384 . . . . 74.019999999999996 112.71 -172.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HD3' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 O-C-N 123.841 0.713 . . . . 74.420000000000002 112.129 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.62 'ZN ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.537 -0.542 . . . . 75.120000000000005 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.94 97.08 0.12 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.932 -0.867 . . . . 70.450000000000003 110.932 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.56 144.95 33.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.734 1.213 . . . . 74.099999999999994 109.027 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -152.16 146.54 25.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.343 0.657 . . . . 54.310000000000002 110.437 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -109.38 117.18 33.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.532 0.733 . . . . 73.310000000000002 109.378 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -149.18 88.91 1.61 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.716 -0.846 . . . . 74.299999999999997 108.716 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -78.79 116.63 19.26 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.474 -0.784 . . . . 63.43 110.213 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -117.66 89.51 3.13 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 73.230000000000004 108.113 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -89.43 90.46 8.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.642 0.777 . . . . 60.340000000000003 111.38 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -84.52 86.83 7.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 75.319999999999993 108.453 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -128.04 108.6 19.95 Favored Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 123.649 0.78 . . . . 75.219999999999999 111.158 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.45 121.7 2.29 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.824 2.349 . . . . 74.540000000000006 112.687 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -149.86 139.37 21.54 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.996 -0.742 . . . . 72.109999999999999 108.996 174.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.68 109.38 0.63 Allowed Glycine 0 C--N 1.338 0.686 0 N-CA-C 110.794 -0.922 . . . . 54.340000000000003 110.794 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.29 115.26 20.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.397 0.679 . . . . 73.450000000000003 109.313 174.278 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.95 145.93 22.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.458 0.703 . . . . 75.310000000000002 110.097 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -166.65 116.52 0.91 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.372 0.669 . . . . 75.140000000000001 110.802 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -122.67 143.12 49.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.051 0.94 . . . . 73.129999999999995 109.685 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.4 153.99 44.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.739 0.816 . . . . 74.530000000000001 108.991 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -67.49 -21.0 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.308 0.643 . . . . 75.25 112.086 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.8 m 71.06 -66.25 0.3 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.83 1.652 . . . . 52.310000000000002 112.366 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.61 57.82 4.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.257 0.456 . . . . 71.450000000000003 112.554 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.3 ttm -86.0 107.62 17.85 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.255 -1.017 . . . . 74.530000000000001 108.255 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t 55.52 84.77 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 O-C-N 124.248 0.968 . . . . 73.010000000000005 109.863 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.06 75.47 1.45 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.429 0.692 . . . . 64.209999999999994 109.52 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 pt -129.36 157.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.246 1.019 . . . . 75.140000000000001 110.399 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.48 77.55 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.649 -0.705 . . . . 74.299999999999997 111.527 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.88 174.19 13.23 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 123.209 2.606 . . . . 75.010000000000005 112.4 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -81.83 80.06 8.22 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.463 0.649 . . . . 74.530000000000001 110.111 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.4 -26.21 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.969 0.908 . . . . 74.310000000000002 111.231 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 73.010000000000005 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 70.420000000000002 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.019999999999996 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 75.129999999999995 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.219999999999999 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.430000000000007 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m -62.99 -42.13 99.76 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 72.319999999999993 111.288 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -79.16 78.58 5.63 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.271 0.558 . . . . 72.329999999999998 110.562 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 p -77.58 93.31 4.17 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.794 0.837 . . . . 72.140000000000001 110.116 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.98 135.97 12.72 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.121 -0.822 . . . . 72.219999999999999 111.385 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.1 124.52 20.48 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.459 0.63 . . . . 74.109999999999999 109.694 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -55.45 140.78 64.65 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.917 1.287 . . . . 74.5 111.114 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.55 91.68 0.11 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 121.434 1.423 . . . . 74.519999999999996 110.411 167.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.601 ' HB3' HD21 ' A' ' 59' ' ' LEU . 58.5 m-85 -66.43 87.82 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.28 -1.327 . . . . 73.510000000000005 111.108 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.140000000000001 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.611 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.219999999999999 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 75.310000000000002 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 65.439999999999998 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.119999999999997 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 74.230000000000004 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.219999999999999 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 73.099999999999994 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.209999999999994 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 72.420000000000002 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.349999999999994 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.219999999999999 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.019999999999996 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.601 HD21 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.439999999999998 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.329999999999998 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.404 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.030000000000001 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.403 HG12 ' O ' ' A' ' 59' ' ' LEU . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 74.140000000000001 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.51 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.499 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.409999999999997 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -59.71 -41.82 91.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.530000000000001 110.603 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t 71.78 141.03 0.05 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.036 1.334 . . . . 75.439999999999998 112.302 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.26 -36.42 4.14 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 112.119 -0.392 . . . . 51.210000000000001 112.119 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.97 -33.02 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.114 0.966 . . . . 71.420000000000002 110.972 172.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.51 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 3.9 mptp? -103.93 143.21 26.2 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 114.602 -1.181 . . . . 74.5 108.394 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.09 162.35 42.1 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.404 2.069 . . . . 75.540000000000006 111.015 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.8 t80 63.14 72.68 0.48 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.393 1.058 . . . . 73.230000000000004 109.612 -170.297 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt . . . . . 0 CA--C 1.566 1.59 0 C-N-CA 125.542 1.537 . . . . 73.430000000000007 111.971 173.813 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.611 'ZN ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.98 -0.748 . . . . 70.420000000000002 108.98 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.07 101.45 0.2 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.592 -0.603 . . . . 71.120000000000005 111.592 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -84.4 -19.06 34.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.233 0.613 . . . . 72.120000000000005 110.269 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.41 105.95 0.69 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.211 0.605 . . . . 72.040000000000006 110.809 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -143.26 80.92 1.69 Allowed 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.012 -1.107 . . . . 74.409999999999997 108.012 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.89 98.62 4.21 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.12 0.968 . . . . 71.340000000000003 108.645 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -100.07 115.59 30.12 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.792 -1.188 . . . . 74.540000000000006 107.792 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -136.05 -31.08 0.93 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.553 0.741 . . . . 73.409999999999997 109.529 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 m 58.49 -98.29 0.08 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.146 1.378 . . . . 71.310000000000002 112.416 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 178.95 43.87 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.124 0.57 . . . . 73.420000000000002 111.161 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.0 ttm -120.76 86.39 40.75 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.437 -0.789 . . . . 74.340000000000003 110.792 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -99.93 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 123.941 3.094 . . . . 75.329999999999998 112.581 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -101.26 148.72 24.79 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.674 0.389 . . . . 74.129999999999995 110.907 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.2 51.33 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.315 1.009 . . . . 75.109999999999999 110.712 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -122.27 -36.02 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.072 0.949 . . . . 75.150000000000006 110.7 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.47 120.05 21.16 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.837 -0.619 . . . . 75.430000000000007 110.181 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -135.99 145.1 45.77 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.834 0.854 . . . . 73.519999999999996 109.293 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.1 m -126.24 162.63 25.0 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.019 0.928 . . . . 74.239999999999995 110.286 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -149.71 128.89 12.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.926 0.49 . . . . 64.540000000000006 110.302 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.36 146.79 12.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.451 0.7 . . . . 74.109999999999999 109.203 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -162.05 150.78 15.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.657 0.783 . . . . 73.299999999999997 109.795 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.81 157.92 21.82 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.511 -0.313 . . . . 55.43 113.437 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.3 tpt -156.84 108.46 2.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.042 -1.095 . . . . 74.439999999999998 108.042 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -98.79 158.89 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.426 0.691 . . . . 74.310000000000002 111.916 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.7 m -97.33 141.16 30.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 73.140000000000001 110.183 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 13.9 tt -153.99 135.78 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.994 0.918 . . . . 74.319999999999993 108.729 174.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.53 72.15 0.14 Allowed Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.834 -1.306 . . . . 74.129999999999995 109.834 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 55.4 Cg_endo -66.26 150.17 84.87 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.811 2.341 . . . . 72.549999999999997 112.712 -172.437 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.53 -1.96 26.74 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.381 0.673 . . . . 73.040000000000006 111.855 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.31 -31.65 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.244 0.617 . . . . 64.409999999999997 110.325 169.386 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.439999999999998 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 74.420000000000002 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.510000000000005 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.409999999999997 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.519999999999996 111.373 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.530000000000001 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.51 -26.5 45.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.450000000000003 111.752 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -134.56 96.01 3.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.52 0.728 . . . . 74.120000000000005 109.469 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.1 t -153.65 174.6 14.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.071 0.949 . . . . 74.099999999999994 109.797 174.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.67 170.54 41.81 Favored Glycine 0 C--O 1.241 0.559 0 N-CA-C 111.134 -0.786 . . . . 73.540000000000006 111.134 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.76 72.11 6.45 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.899 0.857 . . . . 73.329999999999998 108.979 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -72.19 149.41 91.82 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.028 -1.442 . . . . 74.519999999999996 109.804 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.99 4.72 1.71 Allowed 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.232 2.622 . . . . 72.129999999999995 113.72 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.563 ' HA ' HD23 ' A' ' 59' ' ' LEU . 94.1 m-85 -80.6 12.4 3.13 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.948 0.899 . . . . 64.109999999999999 111.797 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 71.319999999999993 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.349999999999994 110.26 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.340000000000003 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 73.519999999999996 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 52.340000000000003 112.543 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 74.140000000000001 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.209999999999994 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 73.530000000000001 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.299999999999997 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.595 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 72.230000000000004 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.595 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.129999999999995 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 75.540000000000006 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 53.43 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 73.439999999999998 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.563 HD23 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.099999999999994 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 74.25 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 75.549999999999997 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 73.209999999999994 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.140000000000001 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.43 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 71.340000000000003 109.96 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.099999999999994 110.864 172.134 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -70.27 -35.71 73.93 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 72.030000000000001 110.323 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 m -81.87 88.1 6.35 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.366 0.666 . . . . 51.509999999999998 111.131 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.51 9.75 86.57 Favored Glycine 0 N--CA 1.475 1.236 0 CA-C-N 116.101 -0.5 . . . . 60.0 114.117 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.443 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 39.6 mt-10 67.47 108.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.598 1.159 . . . . 71.420000000000002 112.066 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.43 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 14.1 mptt -106.18 134.92 19.55 Favored Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.463 0.705 . . . . 75.25 109.259 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.87 158.19 50.4 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.252 2.634 . . . . 74.209999999999994 112.912 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -72.35 -22.2 61.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.581 0.752 . . . . 72.420000000000002 110.243 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.25 1.09 0 C-N-CA 124.078 0.951 . . . . 73.329999999999998 109.714 179.103 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.663 -0.495 . . . . 74.140000000000001 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.01 175.47 17.25 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.22 -0.445 . . . . 71.530000000000001 112.378 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -140.51 -160.08 1.03 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.646 1.178 . . . . 74.230000000000004 108.736 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 69.06 23.36 6.56 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 124.574 1.15 . . . . 75.299999999999997 111.62 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -63.13 136.75 57.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.77 0.428 . . . . 71.400000000000006 110.288 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m170 67.59 84.61 0.15 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.438 1.095 . . . . 73.299999999999997 110.282 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.18 97.92 3.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.455 0.645 . . . . 74.209999999999994 109.543 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -155.7 127.92 7.66 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.246 -0.649 . . . . 73.519999999999996 109.246 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.24 168.38 26.64 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.009 0.924 . . . . 74.340000000000003 109.194 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -151.07 178.21 9.42 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.955 0.407 . . . . 74.450000000000003 110.287 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.3 mpt? -85.56 140.49 35.95 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.865 0.866 . . . . 75.239999999999995 110.029 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.91 125.62 19.6 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.61 2.873 . . . . 73.409999999999997 113.332 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -117.89 144.32 45.54 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.744 0.818 . . . . 74.430000000000007 110.298 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.14 78.77 0.04 OUTLIER Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.368 -0.693 . . . . 54.32 111.368 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -87.49 65.57 8.67 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.986 0.915 . . . . 74.310000000000002 111.352 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.79 126.53 41.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.88 0.472 . . . . 72.340000000000003 110.244 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -165.55 159.12 16.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.164 0.986 . . . . 74.340000000000003 109.049 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.5 p -162.53 128.72 3.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.918 0.487 . . . . 72.439999999999998 110.557 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.66 147.77 17.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.521 1.128 . . . . 74.319999999999993 109.181 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.59 143.12 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.189 0.996 . . . . 73.030000000000001 109.436 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.8 m -141.38 177.69 7.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.712 0.805 . . . . 71.439999999999998 110.628 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.37 92.18 1.64 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.256 -0.738 . . . . 72.430000000000007 111.256 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.96 162.68 26.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.318 0.647 . . . . 74.140000000000001 110.869 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -126.57 131.49 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.101 -0.703 . . . . 73.239999999999995 109.101 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -161.14 70.99 0.39 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.692 0.758 . . . . 64.030000000000001 109.742 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -104.42 127.9 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.59 -0.893 . . . . 71.409999999999997 108.59 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.66 65.28 0.1 OUTLIER Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.587 -0.563 . . . . 71.409999999999997 112.037 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HG2' HG11 ' A' ' 30' ' ' VAL . 56.5 Cg_endo -68.75 176.06 6.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.758 2.305 . . . . 75.439999999999998 112.668 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -84.97 36.65 0.63 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.941 0.496 . . . . 72.030000000000001 112.112 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' HG2' ' A' ' 28' ' ' PRO . 23.2 m -57.73 -29.85 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.059 0.944 . . . . 73.019999999999996 112.429 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 73.209999999999994 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 74.319999999999993 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.219999999999999 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 75.099999999999994 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 75.040000000000006 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.420000000000002 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t -71.72 -27.18 62.83 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.329999999999998 110.435 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -74.42 -39.64 62.49 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.119 0.568 . . . . 70.109999999999999 110.219 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 p -69.48 101.98 1.7 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 109.58 -0.526 . . . . 64.219999999999999 109.58 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 63.63 3.77 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 112.472 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -91.42 98.74 11.87 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.783 -1.192 . . . . 70.200000000000003 107.783 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.55 111.82 13.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.943 -0.762 . . . . 75.349999999999994 108.943 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.43 154.61 29.04 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.034 2.489 . . . . 73.219999999999999 113.325 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 -71.78 96.79 1.68 Allowed 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.57 -0.741 . . . . 75.329999999999998 109.802 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.200000000000003 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.109999999999999 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.109999999999999 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.430000000000007 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.599 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.140000000000001 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 74.239999999999995 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.420000000000002 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 70.129999999999995 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 75.230000000000004 109.672 174.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 74.019999999999996 109.455 179.508 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 73.329999999999998 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.420000000000002 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.230000000000004 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 74.25 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.509 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.519999999999996 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 74.25 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 72.329999999999998 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.561 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 73.109999999999999 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 71.299999999999997 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.18 -21.55 60.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.109999999999999 111.084 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -85.41 11.84 9.54 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.944 0.898 . . . . 75.519999999999996 112.052 -175.443 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.38 -136.93 13.71 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 113.947 0.339 . . . . 61.219999999999999 113.947 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.71 80.56 8.01 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.148 -0.686 . . . . 62.210000000000001 109.148 -171.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.561 ' HG2' ' HB3' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -92.65 148.9 37.05 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 109.635 -0.506 . . . . 74.209999999999994 109.635 175.071 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.27 98.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 123.261 2.641 . . . . 75.400000000000006 112.705 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -62.35 -33.88 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.329 1.051 . . . . 74.319999999999993 110.06 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.439 1.096 . . . . 72.049999999999997 108.912 174.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.843 -0.428 . . . . 73.310000000000002 109.843 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.03 39.19 0.19 Allowed Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.142 -0.783 . . . . 73.340000000000003 111.142 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -117.31 84.15 2.11 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.197 0.999 . . . . 74.519999999999996 108.911 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -79.15 95.33 5.56 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.609 -0.885 . . . . 72.030000000000001 108.609 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -68.95 127.5 33.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.979 0.911 . . . . 73.420000000000002 110.511 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.97 148.49 13.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.767 0.827 . . . . 73.450000000000003 109.959 -171.387 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -159.58 140.87 12.78 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.28 0.632 . . . . 74.340000000000003 110.726 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -160.82 136.92 8.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.026 0.93 . . . . 74.120000000000005 108.928 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -152.18 144.74 24.17 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.114 0.566 . . . . 71.329999999999998 110.769 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -158.48 168.97 25.5 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.88 0.872 . . . . 74.299999999999997 109.72 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.6 121.8 11.0 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.117 0.567 . . . . 74.349999999999994 109.847 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.12 82.53 0.19 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.212 2.608 . . . . 71.319999999999993 112.112 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.45 109.92 18.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.131 0.972 . . . . 74.450000000000003 109.301 177.146 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.97 40.66 0.55 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.371 -0.377 . . . . 65.349999999999994 112.306 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -88.9 -21.01 23.84 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.544 0.738 . . . . 73.150000000000006 110.732 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.56 120.15 8.33 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.119 0.568 . . . . 74.329999999999998 111.98 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -115.12 156.06 25.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.656 0.782 . . . . 71.319999999999993 110.076 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.2 m -146.73 105.15 3.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.692 0.797 . . . . 44.229999999999997 109.197 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -160.83 165.25 30.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.51 0.724 . . . . 73.239999999999995 110.033 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.83 139.98 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.13 0.572 . . . . 71.120000000000005 110.604 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -152.27 130.72 12.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.75 -0.833 . . . . 75.209999999999994 108.75 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.13 103.75 0.19 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.779 -0.528 . . . . 71.109999999999999 111.779 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.3 mtp -137.13 135.45 37.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.008 0.923 . . . . 72.349999999999994 108.728 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 139.07 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.672 0.789 . . . . 72.450000000000003 109.761 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.5 m -132.97 117.76 18.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.55 -0.907 . . . . 63.340000000000003 108.55 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.6 tt -141.06 146.34 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.15 0.98 . . . . 75.230000000000004 109.529 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.71 58.05 9.96 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 119.321 -0.711 . . . . 72.340000000000003 113.573 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.65 -60.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.978 2.452 . . . . 75.439999999999998 112.42 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.413 ' O ' HG22 ' A' ' 33' ' ' VAL . 16.7 m120 -121.3 7.43 10.19 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.532 0.733 . . . . 73.430000000000007 111.013 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -58.85 -31.54 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.12 0.568 . . . . 71.299999999999997 112.024 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.420000000000002 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.310000000000002 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.413 HG22 ' O ' ' A' ' 29' ' ' ASN . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.540000000000006 110.452 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 75.129999999999995 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.230000000000004 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.200000000000003 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -62.71 -23.32 67.09 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.420000000000002 111.661 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -93.72 109.39 21.06 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.509 0.723 . . . . 71.25 110.035 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -85.27 95.45 9.2 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.084 -0.71 . . . . 74.409999999999997 109.084 170.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 162.58 47.39 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.804 -0.635 . . . . 63.200000000000003 113.442 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 61.21 -156.13 0.35 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.178 0.991 . . . . 73.299999999999997 110.96 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.98 143.54 86.6 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.454 0.702 . . . . 74.129999999999995 109.328 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.19 117.41 4.34 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 122.249 1.966 . . . . 72.450000000000003 111.75 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.471 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 -85.02 60.41 6.23 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.019999999999996 109.701 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.581 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.6 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.019999999999996 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 75.109999999999999 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.439999999999998 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 111.945 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 73.109999999999999 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 63.109999999999999 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.581 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 53.149999999999999 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.340000000000003 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 73.420000000000002 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.239999999999995 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 75.230000000000004 110.153 168.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.439999999999998 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 71.510000000000005 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.030000000000001 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 74.209999999999994 111.085 -172.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.524 ' HB3' ' HB2' ' A' ' 72' ' ' PHE . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.450000000000003 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 73.019999999999996 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.636 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.219999999999999 111.624 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 74.409999999999997 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -78.03 -28.04 48.93 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 m -89.22 19.64 4.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.998 0.919 . . . . 73.019999999999996 112.619 -172.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.57 36.74 1.26 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-O 120.0 -0.333 . . . . 63.140000000000001 112.747 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 56.91 40.17 29.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.014 0.925 . . . . 73.230000000000004 111.418 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.636 ' HB2' ' HB3' ' A' ' 64' ' ' LYS . 95.2 mttt -70.27 139.34 87.17 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 115.719 -0.673 . . . . 75.099999999999994 110.97 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.37 116.94 3.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.532 2.821 . . . . 72.200000000000003 112.715 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.524 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 51.6 p90 -73.5 -26.47 60.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.309 0.643 . . . . 74.120000000000005 111.764 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.14 0.576 . . . . 61.32 109.956 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.6 'ZN ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.041 -0.355 . . . . 74.510000000000005 110.041 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.35 125.57 0.93 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 110.669 -0.972 . . . . 74.349999999999994 110.669 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -150.99 163.81 37.87 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 117.251 0.525 . . . . 75.340000000000003 111.441 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -115.4 -164.13 0.93 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.69 -1.226 . . . . 72.439999999999998 107.69 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -145.71 166.13 26.74 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.601 -0.518 . . . . 62.43 109.601 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -79.24 145.07 33.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.226 0.611 . . . . 74.439999999999998 110.626 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -99.3 0.23 42.6 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 122.985 0.514 . . . . 70.319999999999993 111.85 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 60.71 91.54 0.05 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.514 1.126 . . . . 74.25 111.856 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -76.67 96.52 4.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.071 0.548 . . . . 73.209999999999994 111.49 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -156.22 146.18 21.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.298 -1.001 . . . . 75.430000000000007 108.298 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -141.82 149.37 52.94 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.218 0.607 . . . . 73.510000000000005 109.825 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.96 155.48 20.03 Favored 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 122.27 1.98 . . . . 74.140000000000001 111.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -111.32 119.88 40.37 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.277 -1.009 . . . . 72.540000000000006 108.277 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 55.51 4.73 Favored Glycine 0 C--N 1.349 1.268 0 C-N-CA 122.991 0.329 . . . . 72.129999999999995 113.314 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -84.39 147.3 27.22 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 72.310000000000002 110.683 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.55 176.3 8.84 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.331 1.052 . . . . 74.430000000000007 109.733 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -138.24 147.04 43.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.721 0.408 . . . . 75.319999999999993 109.939 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.68 117.01 7.5 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.217 1.007 . . . . 70.129999999999995 110.236 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -68.81 152.19 45.64 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.267 0.627 . . . . 72.340000000000003 110.513 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.05 130.87 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.719 0.808 . . . . 75.109999999999999 111.507 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -89.79 163.34 15.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.104 0.962 . . . . 64.450000000000003 109.689 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.36 133.27 7.64 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.411 -0.676 . . . . 61.439999999999998 111.411 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ptm -105.45 166.8 10.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.415 0.686 . . . . 75.510000000000005 110.817 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -84.68 149.61 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.531 -0.759 . . . . 75.219999999999999 109.304 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -144.38 158.0 43.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.014 0.926 . . . . 75.409999999999997 108.605 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -61.96 133.53 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 N-CA-C 109.882 -0.414 . . . . 74.319999999999993 109.882 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.15 -161.6 26.99 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 119.822 -0.432 . . . . 74.319999999999993 113.01 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.427 ' HB2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_exo -66.67 163.23 33.81 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 123.04 2.493 . . . . 71.040000000000006 112.796 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.34 57.45 4.49 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.307 1.051 . . . . 74.230000000000004 109.68 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.427 HG13 ' HB2' ' A' ' 28' ' ' PRO . 35.6 m -74.11 -26.75 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 114.697 -1.138 . . . . 74.239999999999995 111.48 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.403 HD13 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.439999999999998 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.403 ' N ' HD13 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 72.329999999999998 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.510000000000005 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.43 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 72.230000000000004 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.519999999999996 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -59.15 -37.63 77.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.340000000000003 111.686 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.64 -65.06 0.98 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 73.519999999999996 110.982 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.7 m 68.45 144.0 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.221 1.408 . . . . 74.400000000000006 112.258 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.29 -117.22 0.58 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.234 -0.746 . . . . 60.240000000000002 111.234 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -81.05 139.48 35.69 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.08 0.552 . . . . 72.310000000000002 110.451 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.44 137.81 32.25 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 123.916 0.886 . . . . 74.299999999999997 109.925 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.24 -6.33 16.4 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.806 2.338 . . . . 72.510000000000005 113.495 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 54.01 60.97 3.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.605 1.162 . . . . 72.340000000000003 110.915 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 74.319999999999993 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.350000000000001 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.219999999999999 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.439999999999998 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.596 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 71.319999999999993 110.989 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.519999999999996 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.340000000000003 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 74.040000000000006 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 75.299999999999997 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.454 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 73.519999999999996 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.454 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.530000000000001 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.040000000000006 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.209999999999994 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.43 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 72.200000000000003 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 74.540000000000006 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 71.530000000000001 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.540000000000006 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.439999999999998 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 75.349999999999994 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 75.310000000000002 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.209999999999994 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -66.71 -38.82 87.5 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.340000000000003 110.345 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.3 m 59.68 93.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.665 1.228 . . . . 75.420000000000002 111.418 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.5 -49.21 0.07 OUTLIER Glycine 0 C--N 1.345 1.029 0 CA-C-N 116.486 -0.324 . . . . 75.420000000000002 112.355 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.26 2.35 21.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.481 0.712 . . . . 70.109999999999999 112.692 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -128.6 159.75 66.29 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.773 1.229 . . . . 75.540000000000006 109.529 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.78 150.21 78.79 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.157 1.905 . . . . 74.420000000000002 111.011 166.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -73.43 -44.07 59.02 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.217 0.607 . . . . 75.400000000000006 109.699 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt . . . . . 0 C--O 1.249 1.068 0 C-N-CA 123.717 0.807 . . . . 74.120000000000005 109.631 176.135 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.596 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.427 -0.583 . . . . 74.329999999999998 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.94 75.74 0.25 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.376 -0.69 . . . . 72.400000000000006 111.376 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 153.27 21.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.578 0.751 . . . . 73.340000000000003 109.78 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -145.99 -62.7 0.32 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.789 0.836 . . . . 71.140000000000001 109.768 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 60.23 95.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.097 0.959 . . . . 74.439999999999998 110.63 -173.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -61.24 136.37 58.03 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.024 0.53 . . . . 71.109999999999999 109.708 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -70.26 96.24 1.09 Allowed 'General case' 0 C--O 1.242 0.682 0 O-C-N 124.148 0.905 . . . . 62.43 110.17 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -66.16 117.66 8.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.572 -1.195 . . . . 73.329999999999998 110.089 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -131.06 145.71 52.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.619 0.768 . . . . 75.340000000000003 110.225 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -151.01 116.67 5.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.391 1.076 . . . . 74.430000000000007 108.316 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -144.32 82.2 10.83 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-O 121.282 0.563 . . . . 74.25 111.325 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.05 136.58 10.4 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.776 2.317 . . . . 74.230000000000004 111.771 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.93 97.39 8.04 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.074 -1.084 . . . . 74.400000000000006 108.074 171.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.42 96.81 0.3 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.12 0.888 . . . . 73.340000000000003 111.871 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -129.18 129.03 44.56 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.822 0.849 . . . . 75.329999999999998 109.831 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.24 153.06 45.05 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.878 1.271 . . . . 72.219999999999999 108.862 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -121.05 146.38 46.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.134 0.574 . . . . 71.430000000000007 109.633 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -112.65 111.23 21.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.567 1.147 . . . . 71.299999999999997 108.974 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.25 138.01 58.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.804 0.841 . . . . 74.340000000000003 110.401 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.09 147.84 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.161 0.985 . . . . 75.439999999999998 110.986 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.04 175.6 12.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.734 0.814 . . . . 73.109999999999999 110.085 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.0 29.39 0.13 Allowed Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.725 -0.55 . . . . 73.430000000000007 111.725 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.7 mpt? -75.58 139.92 42.36 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.823 0.849 . . . . 73.329999999999998 110.393 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.51 142.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.186 0.994 . . . . 70.409999999999997 109.124 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.2 p -154.31 116.37 4.25 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.328 1.051 . . . . 55.130000000000003 108.265 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.46 169.09 3.59 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 C-N-CA 123.663 0.785 . . . . 74.140000000000001 111.068 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.06 144.13 16.05 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.889 -0.95 . . . . 74.230000000000004 110.735 171.63 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.47 155.35 40.78 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.711 2.274 . . . . 74.530000000000001 112.663 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.09 39.95 0.73 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.181 0.992 . . . . 71.329999999999998 111.389 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -64.94 -26.43 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 75.340000000000003 110.19 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.200000000000003 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.445 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 75.409999999999997 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 75.230000000000004 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.530000000000001 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.552 ' HZ2' ' HB2' ' A' ' 35' ' ' LYS . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 75.310000000000002 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.450000000000003 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -59.24 -31.55 69.17 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 71.109999999999999 111.036 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.36 -7.07 34.08 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.803 1.038 . . . . 63.009999999999998 113.803 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.3 p -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.894 0.378 . . . . 72.329999999999998 111.153 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.26 -46.17 0.34 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 111.687 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -74.81 89.89 2.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.0 0.52 . . . . 74.420000000000002 109.652 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -111.06 129.51 23.91 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.959 0.904 . . . . 74.209999999999994 110.285 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 0.547 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 32.0 Cg_endo -62.62 129.3 25.96 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.146 1.897 . . . . 75.209999999999994 111.604 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.494 ' HB3' HD21 ' A' ' 59' ' ' LEU . 79.4 m-85 -60.91 146.58 46.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.734 0.814 . . . . 73.030000000000001 110.218 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.239999999999995 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.200000000000003 108.535 170.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.120000000000005 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.219999999999999 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.637 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.340000000000003 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.420000000000002 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.549999999999997 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.420000000000002 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.547 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.450000000000003 111.546 177.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 74.030000000000001 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 74.109999999999999 109.856 173.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 65.120000000000005 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 62.119999999999997 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD21 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.329999999999998 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.450000000000003 110.566 -175.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.437 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 70.439999999999998 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.436 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.519999999999996 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.400000000000006 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 73.230000000000004 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.437 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 71.129999999999995 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -90.82 3.44 54.43 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.209999999999994 111.524 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m 61.21 83.82 0.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.537 1.135 . . . . 61.100000000000001 111.836 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.13 -86.11 0.25 Allowed Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.431 -0.804 . . . . 65.340000000000003 111.75 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.44 76.03 1.65 Allowed 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.255 1.026 . . . . 73.510000000000005 108.775 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.64 ' HZ2' ' HB2' ' A' ' 70' ' ' LYS . 0.0 OUTLIER -141.6 157.84 64.4 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.199 -0.91 . . . . 73.219999999999999 110.123 -174.134 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.74 91.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 123.02 2.48 . . . . 62.420000000000002 112.408 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.58 118.38 19.18 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.409 -0.96 . . . . 72.510000000000005 108.409 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 C-N-CA 125.125 1.37 . . . . 73.310000000000002 109.317 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.637 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 108.837 -0.801 . . . . 75.109999999999999 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.78 114.62 0.08 OUTLIER Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.534 -0.757 . . . . 75.239999999999995 111.563 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -72.51 82.63 1.09 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.5 0.667 . . . . 75.5 109.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -81.79 139.3 34.87 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.409 -1.269 . . . . 72.439999999999998 110.021 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -149.33 111.37 4.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.833 -0.621 . . . . 74.120000000000005 110.451 -171.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.16 129.19 42.36 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.373 -0.603 . . . . 75.400000000000006 109.373 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -115.37 152.98 31.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.141 0.576 . . . . 63.340000000000003 109.984 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -132.3 98.15 4.31 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.645 -0.872 . . . . 75.430000000000007 108.645 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -79.76 158.44 26.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.902 0.481 . . . . 71.439999999999998 109.771 171.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -158.99 97.02 1.37 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.387 0.675 . . . . 71.549999999999997 110.011 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.2 tpt -161.96 98.08 1.2 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.988 0.915 . . . . 70.530000000000001 108.928 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.71 159.66 38.57 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 121.941 1.761 . . . . 73.340000000000003 111.709 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -131.9 126.32 33.86 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.024 -1.102 . . . . 72.109999999999999 108.024 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.02 97.47 0.11 Allowed Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.469 -0.653 . . . . 73.310000000000002 111.469 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.96 140.8 53.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.099 0.56 . . . . 74.319999999999993 110.559 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.28 176.03 9.04 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.603 0.761 . . . . 71.510000000000005 110.077 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -165.4 35.6 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.399 0.68 . . . . 73.409999999999997 110.213 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -58.07 108.36 0.59 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.83 0.452 . . . . 64.510000000000005 111.498 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -150.6 -174.99 4.93 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.908 0.883 . . . . 75.230000000000004 109.773 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.98 137.61 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.834 0.453 . . . . 72.120000000000005 111.285 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -92.2 -179.04 5.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.34 0.656 . . . . 70.25 110.32 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.81 53.98 0.3 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.592 -0.603 . . . . 62.420000000000002 111.592 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.09 114.66 13.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.65 0.78 . . . . 74.430000000000007 111.087 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -150.52 129.32 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 124.187 0.995 . . . . 72.340000000000003 109.862 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.3 m -148.28 113.7 5.61 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.784 -0.821 . . . . 70.319999999999993 108.784 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tt -160.67 133.97 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.854 0.862 . . . . 72.510000000000005 109.548 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 153.86 52.6 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-O 119.349 -0.695 . . . . 43.310000000000002 112.49 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.475 ' HB2' HG11 ' A' ' 30' ' ' VAL . 38.5 Cg_endo -64.44 171.91 7.38 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.59 2.193 . . . . 74.310000000000002 112.791 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.438 ' HB3' ' HE3' ' A' ' 32' ' ' MET . 3.6 m-20 -99.89 34.45 2.28 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.428 0.632 . . . . 73.439999999999998 110.388 178.255 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.475 HG11 ' HB2' ' A' ' 28' ' ' PRO . 22.6 m -61.29 -27.11 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.209 1.004 . . . . 75.310000000000002 112.684 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 74.5 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.438 ' HE3' ' HB3' ' A' ' 29' ' ' ASN . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 74.340000000000003 110.115 -178.23 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.530000000000001 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 72.140000000000001 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 74.519999999999996 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 73.329999999999998 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m -64.11 -35.54 81.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 64.030000000000001 110.583 170.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -92.04 -6.78 50.44 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.188 0.595 . . . . 71.530000000000001 112.104 -172.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.9 p -88.98 21.55 3.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.837 0.455 . . . . 62.399999999999999 111.86 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.65 -137.16 2.27 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.505 0.098 . . . . 72.439999999999998 112.973 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -89.31 179.55 6.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 74.209999999999994 110.985 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -65.76 124.53 87.73 Favored Pre-proline 0 C--O 1.249 1.07 0 C-N-CA 123.344 0.658 . . . . 73.019999999999996 109.78 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.87 110.42 2.57 Favored 'Trans proline' 0 C--N 1.367 1.513 0 C-N-CA 122.181 1.921 . . . . 73.420000000000002 109.723 169.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.405 ' HB3' HD23 ' A' ' 59' ' ' LEU . 95.9 m-85 -49.93 127.94 17.48 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 124.146 0.904 . . . . 73.040000000000006 109.946 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.319999999999993 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 49' ' ' CYS . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.200000000000003 112.049 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.310000000000002 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.109999999999999 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 46' ' ' CYS . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.040000000000006 109.698 173.586 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.349999999999994 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.299999999999997 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 64.540000000000006 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 74.030000000000001 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.150000000000006 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 75.450000000000003 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 72.239999999999995 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 63.200000000000003 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 74.329999999999998 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.405 HD23 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.209999999999994 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.239999999999995 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.310000000000002 111.89 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.030000000000001 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.553 ' HB3' ' HD2' ' A' ' 70' ' ' LYS . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.329999999999998 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.340000000000003 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.26 -13.53 40.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 75.120000000000005 111.417 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -85.23 122.45 29.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.808 0.843 . . . . 74.230000000000004 111.001 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.12 -46.28 92.9 Favored Glycine 0 C--N 1.354 1.561 0 O-C-N 123.446 0.466 . . . . 71.109999999999999 112.668 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.85 137.04 53.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.158 0.983 . . . . 75.450000000000003 109.074 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.553 ' HD2' ' HB3' ' A' ' 64' ' ' LYS . 23.8 pttm -153.52 150.97 24.47 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 123.158 0.583 . . . . 74.209999999999994 110.293 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.39 111.26 1.8 Allowed 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 122.682 2.255 . . . . 74.200000000000003 111.708 165.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.41 117.49 18.94 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.391 -0.966 . . . . 75.439999999999998 108.391 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 O-C-N 124.242 0.964 . . . . 75.519999999999996 112.319 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtm . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.209 -0.293 . . . . 73.209999999999994 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.81 -75.14 0.28 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 110.925 -0.87 . . . . 62.219999999999999 110.925 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 t60 59.28 101.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.308 1.443 . . . . 73.0 111.735 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -145.11 125.18 13.62 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.32 0.648 . . . . 64.420000000000002 109.76 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -127.82 105.84 8.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.578 0.751 . . . . 74.420000000000002 109.09 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -110.48 121.82 46.23 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.73 -0.841 . . . . 64.319999999999993 108.73 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -157.9 110.32 2.37 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 124.564 1.146 . . . . 71.409999999999997 108.234 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -127.26 140.18 52.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.626 0.77 . . . . 75.209999999999994 109.219 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.08 108.24 4.0 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.731 0.644 . . . . 75.409999999999997 110.513 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -84.74 88.3 7.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.677 0.791 . . . . 74.230000000000004 109.138 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.78 97.36 1.72 Allowed Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.179 -1.045 . . . . 75.209999999999994 108.179 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.71 130.71 15.01 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.389 2.06 . . . . 72.319999999999993 110.885 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.89 77.29 6.56 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.256 0.622 . . . . 75.430000000000007 109.921 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.37 74.17 2.26 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.682 -0.967 . . . . 74.319999999999993 110.682 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -85.59 98.38 10.62 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.196 0.598 . . . . 74.010000000000005 109.731 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.74 131.65 47.89 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.773 -0.649 . . . . 74.430000000000007 109.881 -175.248 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -113.83 144.95 42.15 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.346 1.059 . . . . 74.409999999999997 109.206 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.4 m -115.63 94.97 4.92 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.736 -1.209 . . . . 74.239999999999995 107.736 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -159.46 121.97 3.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.237 0.615 . . . . 61.0 109.452 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.2 m -116.06 -178.8 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.074 0.95 . . . . 73.219999999999999 110.091 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -113.16 160.65 18.01 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 74.129999999999995 110.42 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.31 73.68 2.56 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 111.802 -0.519 . . . . 61.340000000000003 111.802 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.1 mtt -93.62 164.88 12.99 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.057 0.943 . . . . 73.049999999999997 110.754 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.6 t 63.43 111.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.031 1.332 . . . . 73.430000000000007 112.196 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.4 m -58.84 135.06 57.41 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.984 0.914 . . . . 74.430000000000007 111.419 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 pt -81.74 130.21 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.243 0.617 . . . . 75.030000000000001 110.183 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 169.19 26.69 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 115.728 -0.669 . . . . 65.209999999999994 112.854 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.423 ' HB2' HG11 ' A' ' 30' ' ' VAL . 59.1 Cg_endo -69.19 143.56 54.03 Favored 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.637 2.225 . . . . 73.239999999999995 113.022 -174.67 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -73.73 -4.96 37.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.098 0.959 . . . . 74.430000000000007 111.497 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.423 HG11 ' HB2' ' A' ' 28' ' ' PRO . 11.7 p -56.79 -33.57 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.092 0.957 . . . . 65.310000000000002 111.61 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.450000000000003 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.230000000000004 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.412 HG11 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 74.430000000000007 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.420000000000002 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.150000000000006 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 73.129999999999995 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m -68.21 -21.73 64.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.340000000000003 112.386 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -146.44 134.41 21.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.994 0.518 . . . . 75.349999999999994 110.996 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 t -136.12 85.2 2.13 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.955 -1.128 . . . . 75.319999999999993 107.955 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.13 120.27 21.9 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.591 -1.186 . . . . 63.130000000000003 114.058 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -91.35 178.61 5.92 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.746 0.818 . . . . 74.049999999999997 110.731 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -107.36 153.84 40.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.175 0.99 . . . . 71.140000000000001 110.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -58.39 132.28 47.73 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.72 2.28 . . . . 74.150000000000006 111.801 172.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 -72.54 162.0 30.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.707 0.803 . . . . 74.239999999999995 110.598 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 73.409999999999997 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.540000000000006 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 75.219999999999999 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.099999999999994 109.256 170.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.520000000000003 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 52.020000000000003 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 75.340000000000003 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.658 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.430000000000007 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.443 HG21 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.040000000000006 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.443 ' HG2' HG21 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.340000000000003 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.541 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 72.519999999999996 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.130000000000003 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.129999999999995 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.120000000000005 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.109999999999999 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.413 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 74.510000000000005 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 75.030000000000001 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 74.109999999999999 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.577 ' HA ' ' HB3' ' A' ' 70' ' ' LYS . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 75.430000000000007 110.463 169.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 75.239999999999995 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -78.35 -8.32 58.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 75.109999999999999 111.779 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -139.68 -170.46 2.93 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.375 -0.972 . . . . 72.049999999999997 108.375 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.53 -53.43 6.64 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 109.78 -1.328 . . . . 71.25 109.78 165.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -140.78 125.39 17.89 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 125.705 1.602 . . . . 73.349999999999994 107.019 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.577 ' HB3' ' HA ' ' A' ' 64' ' ' LYS . 24.6 pttm -77.12 160.32 76.27 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 124.035 0.934 . . . . 75.019999999999996 111.992 -173.423 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.6 79.45 3.2 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.104 1.869 . . . . 74.310000000000002 112.201 167.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . 0.443 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 91.7 t80 -78.14 -35.92 48.41 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.352 0.661 . . . . 74.329999999999998 109.764 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 124.091 0.956 . . . . 73.349999999999994 109.471 177.3 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.438 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.5 mpt? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.074 -0.713 . . . . 72.099999999999994 109.074 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.78 -113.33 0.45 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.623 -0.991 . . . . 55.340000000000003 110.623 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.3 m80 59.49 84.74 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.568 1.147 . . . . 74.109999999999999 111.94 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -134.03 91.98 2.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.048 0.939 . . . . 72.200000000000003 109.236 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -103.73 85.77 2.49 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.845 -0.798 . . . . 75.219999999999999 108.845 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -88.58 135.85 33.29 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.189 0.596 . . . . 72.25 109.63 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -94.37 143.44 26.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.074 0.95 . . . . 74.420000000000002 110.141 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -161.09 141.39 11.07 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.701 0.8 . . . . 75.420000000000002 109.13 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m 63.39 34.11 13.24 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.522 1.129 . . . . 64.340000000000003 111.076 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -79.63 -19.05 50.13 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.417 -0.81 . . . . 74.310000000000002 111.8 -178.428 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.5 mtt -103.69 98.08 12.17 Favored Pre-proline 0 CA--C 1.557 1.216 0 C-N-CA 122.961 0.504 . . . . 71.299999999999997 110.438 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 62.4 Cg_endo -88.67 172.24 4.78 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.572 2.848 . . . . 74.140000000000001 112.93 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -125.55 179.86 4.95 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.687 -0.486 . . . . 71.219999999999999 109.687 171.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.75 62.63 0.28 Allowed Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.485 -1.046 . . . . 64.200000000000003 110.485 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.41 99.77 10.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.294 0.638 . . . . 75.329999999999998 110.108 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -113.73 161.41 17.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.916 0.886 . . . . 74.019999999999996 109.409 171.433 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HZ2' ' HB2' ' A' ' 17' ' ' LYS . 10.3 mtmp? -125.47 -178.97 4.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.473 0.709 . . . . 71.299999999999997 110.045 178.639 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.6 136.35 25.79 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.985 0.914 . . . . 74.109999999999999 109.891 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.16 143.21 51.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.071 0.549 . . . . 74.129999999999995 111.265 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.89 107.7 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 124.351 1.061 . . . . 74.519999999999996 108.245 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -66.22 130.61 43.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.899 0.48 . . . . 73.519999999999996 110.245 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.63 71.21 2.14 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.578 0.549 . . . . 41.409999999999997 112.023 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.5 mtt -75.41 101.94 4.97 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.782 0.833 . . . . 73.5 109.376 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.6 t -72.89 75.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.363 -0.977 . . . . 72.340000000000003 108.363 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -82.24 89.27 6.51 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.821 -1.082 . . . . 73.319999999999993 109.438 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tt -156.07 119.36 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 115.351 -0.841 . . . . 71.450000000000003 108.756 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' HG11 ' A' ' 30' ' ' VAL . . . -80.07 106.5 2.48 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.163 -1.575 . . . . 71.5 109.163 166.328 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -57.02 -29.42 82.83 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.203 2.602 . . . . 73.209999999999994 113.962 -165.743 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.432 ' O ' HG21 ' A' ' 33' ' ' VAL . 62.1 t30 -71.5 -16.11 62.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.098 0.559 . . . . 73.349999999999994 111.994 -173.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG11 ' O ' ' A' ' 27' ' ' GLY . 7.5 p -64.91 -30.65 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.549 0.34 . . . . 75.150000000000006 110.686 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.430000000000007 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 74.310000000000002 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.432 HG21 ' O ' ' A' ' 29' ' ' ASN . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 72.109999999999999 110.305 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 74.319999999999993 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 75.530000000000001 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.530000000000001 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -48.65 -42.83 35.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.340000000000003 113.059 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -94.46 -94.26 0.17 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.535 -0.757 . . . . 74.430000000000007 109.408 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p 41.53 40.6 1.39 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.601 1.161 . . . . 73.140000000000001 111.061 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 94.4 0.81 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-N 114.141 -1.391 . . . . 45.25 113.351 -169.036 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -68.47 -32.12 71.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.728 0.811 . . . . 71.150000000000006 109.985 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.36 141.1 22.52 Favored Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 108.374 -0.972 . . . . 74.510000000000005 108.374 167.546 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.95 154.41 74.1 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.294 1.996 . . . . 73.140000000000001 112.674 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HA ' HD23 ' A' ' 59' ' ' LEU . 93.3 m-85 -84.29 11.02 9.03 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.72 -0.673 . . . . 74.420000000000002 110.907 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.140000000000001 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.487 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.030000000000001 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 71.430000000000007 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.439999999999998 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.129999999999995 110.638 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.039999999999999 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.487 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.109999999999999 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.46 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 72.040000000000006 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.230000000000004 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.543 HG22 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 75.310000000000002 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.543 ' HG2' HG22 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.430000000000007 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.499 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 64.150000000000006 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.439999999999998 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.418 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 73.430000000000007 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 74.519999999999996 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.499 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.049999999999997 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.428 HH11 HD13 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.540000000000006 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.416 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 73.400000000000006 111.945 -176.055 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.430000000000007 111.234 -174.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.56 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.420000000000002 110.902 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.428 HD13 HH11 ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 -73.58 -12.41 60.75 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.140000000000001 111.48 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.0 t -127.85 -178.56 4.55 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.816 0.846 . . . . 74.329999999999998 109.145 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.23 135.56 8.15 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 111.5 -0.64 . . . . 61.229999999999997 111.5 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 67.18 34.7 4.85 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.798 1.239 . . . . 72.140000000000001 112.027 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.56 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 27.3 mtpp -69.97 139.31 87.92 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 122.918 0.487 . . . . 73.319999999999993 110.51 169.706 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.98 85.7 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.274 2.649 . . . . 63.350000000000001 112.913 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -102.71 112.22 24.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.772 -0.825 . . . . 70.150000000000006 108.772 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.79 -0.819 . . . . 72.439999999999998 108.79 176.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.61 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.426 -0.583 . . . . 70.129999999999995 109.426 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.94 133.49 4.73 Favored Glycine 0 C--N 1.351 1.401 0 O-C-N 123.275 0.36 . . . . 63.229999999999997 112.206 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -144.05 133.96 23.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.35 0.66 . . . . 75.420000000000002 109.626 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -138.85 160.23 40.2 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.211 0.604 . . . . 74.099999999999994 110.42 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -140.64 166.15 25.52 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.805 0.842 . . . . 75.200000000000003 109.6 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -89.07 171.39 9.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.461 -0.791 . . . . 75.140000000000001 111.275 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -141.55 132.65 26.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.942 1.297 . . . . 71.310000000000002 109.236 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -93.12 145.76 24.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.087 0.555 . . . . 73.219999999999999 110.717 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -139.22 132.63 30.13 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.343 0.657 . . . . 71.040000000000006 109.321 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -83.7 -178.17 6.93 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.639 0.775 . . . . 73.549999999999997 110.946 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -116.14 123.34 31.01 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 108.327 -0.99 . . . . 60.240000000000002 108.327 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.3 142.41 37.34 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.453 2.102 . . . . 71.129999999999995 112.258 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -75.33 143.43 42.89 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.281 0.632 . . . . 70.409999999999997 109.568 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.67 22.68 2.17 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 111.46 -0.656 . . . . 52.009999999999998 111.46 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -82.56 85.37 6.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.145 0.578 . . . . 75.120000000000005 109.627 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD11 ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.34 160.96 0.77 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.397 1.879 . . . . 74.150000000000006 106.981 176.541 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' HD11 ' A' ' 16' ' ' LEU . 0.7 OUTLIER 63.87 35.56 10.91 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.972 0.909 . . . . 74.340000000000003 110.87 177.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -144.25 92.59 2.33 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.305 -0.628 . . . . 51.340000000000003 109.305 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -162.46 154.69 18.98 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 72.439999999999998 109.13 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.67 149.84 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.539 0.736 . . . . 74.200000000000003 111.453 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.71 101.31 13.92 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.261 -0.644 . . . . 73.140000000000001 109.261 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.5 70.43 3.15 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.838 -0.619 . . . . 64.230000000000004 112.06 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' MET . . . . . 0.502 ' HG2' ' H ' ' A' ' 24' ' ' VAL . 16.4 ttt -164.08 179.35 6.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.464 1.106 . . . . 72.510000000000005 108.639 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.502 ' H ' ' HG2' ' A' ' 23' ' ' MET . 24.3 t 69.72 79.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.798 1.239 . . . . 74.319999999999993 110.463 173.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -157.63 94.48 1.36 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.835 -1.075 . . . . 73.510000000000005 108.807 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 pt -83.77 170.64 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.647 0.779 . . . . 74.329999999999998 110.737 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.52 169.39 14.53 Favored Glycine 0 C--O 1.242 0.626 0 CA-C-O 119.421 -0.655 . . . . 72.310000000000002 112.426 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.82 151.3 57.0 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 123.002 2.468 . . . . 63.329999999999998 111.6 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.21 43.58 1.14 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.204 0.602 . . . . 74.109999999999999 110.637 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m -60.85 -27.01 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.205 1.002 . . . . 75.299999999999997 112.298 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 75.409999999999997 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 64.420000000000002 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 74.109999999999999 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 72.540000000000006 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 71.409999999999997 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 75.530000000000001 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t -68.14 -31.64 71.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 110.648 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.75 74.88 8.71 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.248 -0.649 . . . . 72.510000000000005 109.248 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 m -88.83 -54.8 3.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.541 0.736 . . . . 55.140000000000001 109.823 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.34 -127.76 3.06 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 109.574 -1.411 . . . . 73.299999999999997 109.574 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.0 170.43 16.7 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.247 0.546 . . . . 73.549999999999997 110.212 172.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -101.64 133.06 21.03 Favored Pre-proline 0 C--O 1.242 0.694 0 C-N-CA 123.87 0.868 . . . . 73.200000000000003 108.676 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -71.21 157.88 56.12 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.222 1.948 . . . . 75.349999999999994 111.486 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -79.37 175.96 10.12 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.864 -0.607 . . . . 73.340000000000003 110.878 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 75.010000000000005 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.120000000000005 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.549999999999997 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 74.319999999999993 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.119999999999997 113.494 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.549999999999997 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 73.099999999999994 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.439999999999998 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 73.230000000000004 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 74.239999999999995 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.200000000000003 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 72.319999999999993 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 75.109999999999999 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 75.329999999999998 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.441 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.430000000000007 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.432 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.340000000000003 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.439999999999998 111.297 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 75.140000000000001 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.441 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 75.129999999999995 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.432 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 74.340000000000003 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 -62.33 -31.23 71.82 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 75.129999999999995 112.883 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.4 p -168.13 161.32 12.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.847 0.459 . . . . 70.409999999999997 110.896 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.67 -152.9 14.33 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.694 -0.503 . . . . 54.43 112.546 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.94 30.56 20.07 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.311 1.045 . . . . 73.230000000000004 110.567 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -128.3 143.1 46.87 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 123.639 0.776 . . . . 73.430000000000007 110.786 -174.018 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -59.51 142.66 99.27 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 123.287 2.658 . . . . 73.420000000000002 111.484 172.689 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.18 -74.43 0.44 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.343 0.657 . . . . 74.219999999999999 109.494 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 CA--C 1.562 1.422 0 C-N-CA 123.985 0.914 . . . . 74.129999999999995 109.252 -176.472 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 109.387 -0.598 . . . . 73.219999999999999 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.07 93.54 0.1 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 109.964 -1.254 . . . . 72.319999999999993 109.964 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -84.72 137.51 33.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.992 0.517 . . . . 71.409999999999997 110.782 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -138.74 95.9 3.05 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.155 -1.054 . . . . 74.420000000000002 108.155 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -154.53 113.12 3.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.582 . . . . 73.340000000000003 110.019 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -156.86 129.42 7.56 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.114 0.966 . . . . 74.209999999999994 108.749 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -69.47 88.15 0.48 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.573 0.749 . . . . 65.200000000000003 110.601 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.59 -1.263 . . . . 74.450000000000003 107.59 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -157.05 137.82 13.29 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 110.2 -177.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -77.98 93.17 4.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.704 0.802 . . . . 71.340000000000003 110.102 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.4 mtp -116.01 88.36 21.6 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.84 0.856 . . . . 74.400000000000006 109.398 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -85.68 178.46 4.35 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.739 2.293 . . . . 75.400000000000006 112.362 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -166.05 98.61 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.539 -0.911 . . . . 54.340000000000003 108.539 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.1 66.82 0.33 Allowed Glycine 0 C--N 1.347 1.166 0 N-CA-C 111.973 -0.451 . . . . 73.140000000000001 111.973 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.14 134.46 38.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.047 0.539 . . . . 72.510000000000005 110.173 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.502 HD22 ' H ' ' A' ' 16' ' ' LEU . 2.2 pt? -120.69 164.42 16.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.938 . . . . 75.420000000000002 109.871 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.93 131.31 22.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.374 0.67 . . . . 74.319999999999993 110.159 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 m -138.54 136.57 36.21 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 74.430000000000007 110.108 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -161.23 174.73 13.19 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.912 0.885 . . . . 71.310000000000002 109.557 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.17 153.04 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.537 0.735 . . . . 71.129999999999995 109.758 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -133.45 144.92 49.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.674 0.79 . . . . 73.25 110.134 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.85 164.29 51.64 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 123.823 0.702 . . . . 74.25 112.287 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.5 mtm -130.49 175.73 8.74 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.647 0.779 . . . . 74.519999999999996 109.49 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.67 142.53 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.089 0.556 . . . . 74.109999999999999 109.55 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -143.48 119.0 10.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.52 -0.919 . . . . 70.099999999999994 108.52 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.03 160.02 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.163 0.585 . . . . 70.519999999999996 111.916 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.08 164.79 26.78 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 119.383 -0.676 . . . . 70.109999999999999 112.359 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.18 138.52 14.3 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.134 2.556 . . . . 62.109999999999999 112.869 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -77.95 80.46 4.39 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.115 0.96 . . . . 75.120000000000005 109.788 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.62 -24.38 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 114.969 -1.014 . . . . 74.310000000000002 111.307 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 73.140000000000001 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 73.519999999999996 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 72.040000000000006 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 74.230000000000004 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 71.019999999999996 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t -61.52 -19.67 62.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.239999999999995 112.081 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -125.22 4.47 7.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.498 0.719 . . . . 74.409999999999997 111.228 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -70.99 -21.15 62.34 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.57 0.581 . . . . 72.120000000000005 112.57 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.73 -110.71 0.41 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.192 -0.763 . . . . 72.239999999999995 111.192 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -73.07 126.5 30.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.748 0.819 . . . . 74.430000000000007 111.032 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -76.83 124.14 87.55 Favored Pre-proline 0 CA--C 1.554 1.131 0 CA-C-N 115.745 -0.661 . . . . 75.010000000000005 109.228 168.513 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.74 171.33 12.29 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.794 1.663 . . . . 62.119999999999997 111.592 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.587 ' HB3' HD23 ' A' ' 59' ' ' LEU . 82.6 m-85 -76.76 132.36 39.23 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 73.129999999999995 109.796 -177.056 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.319999999999993 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 75.120000000000005 108.151 165.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 62.140000000000001 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.010000000000005 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.009999999999998 108.38 169.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 71.109999999999999 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 74.219999999999999 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.299999999999997 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.420000000000002 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 72.019999999999996 110.173 171.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.150000000000006 108.79 -179.345 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 74.400000000000006 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . 0.456 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.129999999999995 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.587 HD23 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.019999999999996 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.430000000000007 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.456 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.150000000000006 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.099999999999994 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.445 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.209999999999994 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 74.219999999999999 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.540000000000006 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.445 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 -66.44 -29.69 69.88 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.025 176.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -88.75 3.63 50.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.372 0.669 . . . . 75.140000000000001 110.969 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.68 -140.64 15.84 Favored Glycine 0 C--N 1.361 1.925 0 CA-C-O 120.072 -0.293 . . . . 53.240000000000002 113.554 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -86.18 96.42 9.91 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.548 -0.908 . . . . 63.530000000000001 108.548 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 169.13 6.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.237 1.015 . . . . 63.200000000000003 108.357 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -42.89 96.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.075 2.517 . . . . 64.549999999999997 113.949 171.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -127.77 -45.46 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.734 1.614 . . . . 73.319999999999993 108.279 -174.359 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.248 1.009 0 C-N-CA 124.709 1.203 . . . . 73.549999999999997 108.899 -178.144 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 108.91 -0.774 . . . . 72.010000000000005 108.91 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.56 90.37 0.18 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.422 0.451 . . . . 61.140000000000001 112.055 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -118.42 49.48 1.28 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.056 0.931 . . . . 74.409999999999997 108.83 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -82.38 93.43 7.19 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.695 -0.854 . . . . 64.310000000000002 108.695 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -110.35 15.02 22.51 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.663 0.785 . . . . 75.319999999999993 111.088 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.02 139.52 9.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.352 1.061 . . . . 73.310000000000002 109.026 169.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -129.35 95.99 4.17 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.276 1.03 . . . . 75.340000000000003 109.059 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 59.08 87.22 0.08 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.568 1.147 . . . . 73.420000000000002 110.4 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -72.47 165.44 24.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.747 0.819 . . . . 75.439999999999998 111.547 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -139.44 164.22 30.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.236 1.015 . . . . 74.209999999999994 109.633 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.5 mtt -119.11 155.07 53.61 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.693 1.197 . . . . 74.120000000000005 109.085 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.62 170.89 5.07 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.056 2.504 . . . . 74.450000000000003 113.089 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -153.69 178.09 10.25 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.756 0.822 . . . . 74.310000000000002 110.79 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.95 106.34 1.33 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.459 -1.057 . . . . 64.230000000000004 110.459 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.86 147.26 42.2 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.893 0.877 . . . . 74.439999999999998 110.579 -178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -129.4 155.66 45.33 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.405 1.082 . . . . 74.439999999999998 109.432 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -127.87 134.53 49.4 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.194 -0.669 . . . . 74.230000000000004 109.194 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.89 101.08 11.82 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.942 -0.762 . . . . 73.109999999999999 108.942 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -108.9 117.8 35.15 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.699 -0.852 . . . . 73.5 108.699 171.661 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -90.18 145.34 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.691 0.796 . . . . 74.549999999999997 111.04 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -89.9 141.37 28.71 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.626 0.77 . . . . 75.430000000000007 109.276 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.81 144.51 15.86 Favored Glycine 0 C--N 1.339 0.71 0 O-C-N 123.462 0.477 . . . . 75.010000000000005 112.428 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 ttt -148.55 118.84 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.099 -0.704 . . . . 74.040000000000006 109.099 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.03 173.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.398 0.618 . . . . 71.099999999999994 109.935 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -146.25 165.89 27.89 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.039 0.936 . . . . 70.049999999999997 109.262 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -125.38 158.85 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.401 0.68 . . . . 74.430000000000007 109.189 172.122 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.08 95.08 0.16 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.131 -0.816 . . . . 44.409999999999997 112.134 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.59 155.79 44.9 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.823 2.349 . . . . 71.349999999999994 113.479 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.44 73.18 3.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.01 0.924 . . . . 65.299999999999997 108.919 172.051 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.16 -29.99 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.211 0.604 . . . . 74.420000000000002 112.363 -171.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 75.030000000000001 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 75.450000000000003 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.239999999999995 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.209999999999994 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.420000000000002 111.064 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 75.319999999999993 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -66.27 -22.81 66.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 75.519999999999996 111.669 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -73.53 -70.34 0.38 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.373 -0.973 . . . . 72.549999999999997 108.373 164.598 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.8 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 126.005 1.722 . . . . 73.430000000000007 108.343 174.648 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 97.9 20.41 21.41 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.111 -0.95 . . . . 73.099999999999994 112.647 -175.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -104.39 157.05 17.42 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.496 0.718 . . . . 74.129999999999995 110.941 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -61.31 133.79 93.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.848 0.859 . . . . 73.510000000000005 111.297 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.51 117.32 5.06 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 122.498 2.132 . . . . 63.119999999999997 111.326 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.478 ' HB3' HD21 ' A' ' 59' ' ' LEU . 98.2 m-85 -75.15 93.69 2.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.696 0.798 . . . . 74.430000000000007 110.977 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 74.5 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 73.319999999999993 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.239999999999995 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.420000000000002 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.530000000000001 110.205 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.129999999999995 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.409999999999997 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 75.319999999999993 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.010000000000005 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 73.150000000000006 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.409999999999997 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.530000000000001 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 74.129999999999995 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 74.129999999999995 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.478 HD21 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.200000000000003 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 73.409999999999997 110.835 176.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.530000000000001 110.969 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 71.209999999999994 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 73.409999999999997 110.992 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 73.319999999999993 112.506 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 -56.35 -30.02 62.11 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 111.353 173.337 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m 68.99 174.45 0.29 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.362 1.065 . . . . 74.549999999999997 111.438 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.03 -60.4 4.8 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 111.559 -0.616 . . . . 74.030000000000001 111.559 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.538 ' HG2' ' H ' ' A' ' 70' ' ' LYS . 15.4 tt0 -84.59 -170.43 3.11 Favored 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 123.484 0.714 . . . . 75.530000000000001 109.457 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.538 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER 70.23 132.18 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 C-N-CA 125.197 1.399 . . . . 73.430000000000007 111.391 -174.713 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.81 122.92 10.9 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.493 2.129 . . . . 74.329999999999998 111.827 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.17 -33.49 75.88 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.803 -0.635 . . . . 75.010000000000005 110.046 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.268 -0.878 . . . . 74.530000000000001 109.017 173.182 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.076 -0.713 . . . . 75.349999999999994 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.15 21.18 0.57 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.44 -0.8 . . . . 52.43 112.028 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -75.3 84.85 2.46 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.048 -0.723 . . . . 73.109999999999999 109.048 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -111.2 108.2 17.78 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.012 -0.995 . . . . 73.349999999999994 109.728 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -88.54 124.77 34.35 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 109.669 -0.493 . . . . 74.450000000000003 109.669 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -144.3 105.09 4.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.328 0.651 . . . . 61.439999999999998 109.279 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -165.71 128.25 2.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.356 -1.349 . . . . 73.209999999999994 107.356 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -149.4 81.39 1.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.923 -0.769 . . . . 75.430000000000007 108.923 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t -81.26 104.83 12.0 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 75.400000000000006 111.072 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -121.23 76.78 1.26 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.191 -1.411 . . . . 64.409999999999997 107.191 170.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.0 mtp -93.45 123.09 61.34 Favored Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 115.262 -0.881 . . . . 73.439999999999998 110.838 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.19 114.6 4.03 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.497 2.132 . . . . 73.340000000000003 111.465 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.06 146.72 34.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.367 0.667 . . . . 73.540000000000006 110.974 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.16 154.36 28.44 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.833 0.708 . . . . 75.439999999999998 113.045 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -133.95 114.42 13.25 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.788 -1.19 . . . . 75.420000000000002 107.788 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -43.57 75.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.748 0.819 . . . . 74.239999999999995 112.258 -167.22 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -142.39 172.44 12.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.101 0.56 . . . . 74.540000000000006 111.399 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -139.47 129.02 24.38 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 74.439999999999998 109.146 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.12 129.4 39.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.082 0.953 . . . . 75.140000000000001 111.306 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.49 140.15 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.929 0.492 . . . . 73.099999999999994 110.801 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -131.07 101.96 5.82 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.586 -0.894 . . . . 73.310000000000002 108.586 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.46 142.91 8.28 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 112.174 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.67 112.35 7.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.307 1.043 . . . . 62.450000000000003 108.789 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.48 136.0 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-O 121.285 0.564 . . . . 74.230000000000004 110.653 -178.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.5 p -132.5 114.08 13.86 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.188 0.995 . . . . 73.299999999999997 108.388 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 pt -87.47 176.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.841 0.456 . . . . 74.420000000000002 110.61 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.61 1.33 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-O 118.21 -1.328 . . . . 74.219999999999999 110.487 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.25 172.11 0.71 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.175 2.584 . . . . 71.430000000000007 113.609 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.457 ' O ' HG22 ' A' ' 33' ' ' VAL . 2.9 m-20 -81.04 25.21 0.47 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.461 -0.79 . . . . 65.299999999999997 111.659 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.93 -38.89 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.19 0.996 . . . . 75.219999999999999 112.49 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.140000000000001 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' MET . . . . . 0.518 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 73.040000000000006 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG22 ' O ' ' A' ' 29' ' ' ASN . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.219999999999999 110.506 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 71.219999999999999 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.518 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 75.340000000000003 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t -76.4 -31.67 58.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.430000000000007 110.173 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -77.3 -34.96 55.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.637 0.775 . . . . 74.239999999999995 111.022 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 p -85.32 145.0 27.73 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 109.219 -0.66 . . . . 61.25 109.219 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.84 105.35 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-O 119.683 -0.51 . . . . 73.200000000000003 112.256 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.84 -40.83 96.66 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 71.209999999999994 110.469 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -96.67 98.25 4.23 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 106.276 -1.75 . . . . 75.0 106.276 162.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -89.13 112.75 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.455 2.103 . . . . 73.019999999999996 111.897 -170.648 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 -70.96 91.31 0.86 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.645 0.778 . . . . 72.209999999999994 109.759 -177.555 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.129999999999995 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.530000000000001 109.031 166.028 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 72.519999999999996 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 74.409999999999997 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.319999999999993 110.486 164.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.319999999999993 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 75.019999999999996 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 73.140000000000001 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.120000000000005 109.002 -179.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.409999999999997 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 65.140000000000001 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 71.019999999999996 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.119999999999997 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 72.230000000000004 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.504 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.519999999999996 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.430000000000007 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.219999999999999 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.409999999999997 110.947 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.120000000000005 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.439999999999998 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.530000000000001 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -87.22 -21.08 26.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.109999999999999 111.06 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -80.33 103.44 10.2 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 123.511 0.724 . . . . 74.530000000000001 109.82 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.31 -117.14 8.13 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 116.073 -0.512 . . . . 63.409999999999997 112.374 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.32 90.77 2.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.43 0.692 . . . . 74.25 109.854 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.74 156.98 37.07 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 108.308 -0.997 . . . . 72.239999999999995 108.308 168.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.64 171.27 12.26 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.34 2.027 . . . . 75.420000000000002 112.821 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.3 t80 64.29 79.72 0.25 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.226 1.01 . . . . 74.200000000000003 109.326 -170.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 CA--C 1.56 1.357 0 CA-C-N 114.976 -1.011 . . . . 74.430000000000007 110.893 -178.661 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.285 -0.265 . . . . 63.009999999999998 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.27 -176.31 40.23 Favored Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.942 -0.572 . . . . 55.229999999999997 112.011 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.77 131.02 12.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.071 0.948 . . . . 74.430000000000007 109.215 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -156.4 98.75 1.86 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.864 0.84 . . . . 74.010000000000005 110.323 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -130.18 38.28 3.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.353 1.061 . . . . 71.409999999999997 108.335 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -64.3 93.41 0.09 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 72.0 113.199 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -168.87 144.49 3.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.113 1.365 . . . . 65.530000000000001 107.732 168.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -115.65 165.39 13.09 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.113 0.565 . . . . 74.120000000000005 111.592 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 t -137.46 97.05 3.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.459 0.704 . . . . 73.25 109.191 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -138.38 112.01 8.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.132 -1.062 . . . . 71.200000000000003 108.132 172.235 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.08 105.67 6.35 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.721 0.808 . . . . 74.129999999999995 109.577 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.7 127.91 3.79 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 122.726 2.284 . . . . 70.200000000000003 110.925 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.28 155.8 11.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.121 0.568 . . . . 71.329999999999998 111.509 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.18 173.89 41.71 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.429 -1.069 . . . . 62.539999999999999 110.429 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.98 107.79 8.92 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.179 -0.674 . . . . 74.400000000000006 109.179 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.63 76.76 1.0 Allowed 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 121.95 0.881 . . . . 74.150000000000006 110.235 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.08 102.93 6.73 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.175 -0.92 . . . . 65.340000000000003 110.359 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.04 135.38 50.75 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.577 0.751 . . . . 65.219999999999999 111.024 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -74.85 141.4 44.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.261 0.624 . . . . 74.439999999999998 111.724 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.2 137.65 46.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 108.798 -0.816 . . . . 61.109999999999999 108.798 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.0 t -143.24 149.61 38.15 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.571 0.748 . . . . 72.010000000000005 110.222 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.25 125.83 8.67 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.195 -0.762 . . . . 70.420000000000002 111.195 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ptm -80.03 144.05 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.707 0.754 . . . . 72.329999999999998 110.763 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.92 161.59 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 109.674 -0.491 . . . . 72.329999999999998 109.674 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.1 t -149.72 134.85 18.06 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.779 0.431 . . . . 74.019999999999996 110.277 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -113.91 150.96 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.895 -1.15 . . . . 72.439999999999998 107.895 172.355 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.73 -176.53 30.02 Favored Glycine 0 CA--C 1.537 1.414 0 N-CA-C 114.058 0.383 . . . . 52.329999999999998 114.058 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -75.02 167.12 27.72 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 123.241 2.627 . . . . 75.219999999999999 112.377 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -84.0 34.3 0.5 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.012 0.525 . . . . 72.109999999999999 111.714 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.468 HG21 HD23 ' A' ' 31' ' ' LEU . 12.2 m -61.0 -31.25 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 123.479 0.712 . . . . 74.219999999999999 112.722 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.468 HD23 HG21 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.349999999999994 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.418 HG11 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 75.129999999999995 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.120000000000005 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.099999999999994 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.340000000000003 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t -68.45 -15.04 63.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.399999999999999 110.7 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.38 -177.79 4.94 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.734 0.814 . . . . 75.430000000000007 110.123 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m 67.0 75.05 0.32 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.308 1.043 . . . . 75.409999999999997 109.456 -170.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.51 -14.99 65.5 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 114.973 -1.012 . . . . 52.539999999999999 113.336 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -72.06 73.04 0.89 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.344 1.058 . . . . 73.200000000000003 110.216 173.052 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -112.02 121.05 40.5 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 108.118 -1.067 . . . . 74.140000000000001 108.118 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.96 97.96 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.909 1.739 . . . . 61.509999999999998 110.185 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.571 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 -66.71 79.4 0.11 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.116 -0.947 . . . . 74.409999999999997 111.585 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.329999999999998 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . 0.617 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.349999999999994 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.129999999999995 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.120000000000005 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.219999999999999 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.439999999999998 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.430000000000007 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.099999999999994 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.209999999999994 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.422 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 63.340000000000003 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.422 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.530000000000001 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.408 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 73.439999999999998 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.520000000000003 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 74.030000000000001 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.571 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.430000000000007 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.019999999999996 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.209999999999994 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.540000000000006 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . 0.754 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 73.5 110.743 174.504 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 71.209999999999994 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 -60.27 -29.29 68.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.209999999999994 111.363 171.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.413 ' HB3' ' HG3' ' A' ' 70' ' ' LYS . 29.6 t -127.46 163.56 23.83 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.986 0.914 . . . . 73.450000000000003 108.701 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.14 -34.32 85.92 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 112.058 -0.417 . . . . 74.200000000000003 112.058 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.31 141.92 24.45 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.63 1.172 . . . . 73.030000000000001 108.144 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.754 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 56.8 mtpt -131.39 147.17 65.09 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.665 0.786 . . . . 74.129999999999995 109.402 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -56.1 113.64 1.53 Allowed 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.127 2.551 . . . . 75.109999999999999 112.821 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -73.16 106.17 4.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.137 -0.69 . . . . 74.200000000000003 109.137 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.843 1.257 . . . . 75.530000000000001 111.329 178.856 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . 0.617 'ZN ' ' SG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.629 -0.508 . . . . 70.200000000000003 109.629 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.58 -112.96 0.91 Allowed Glycine 0 C--N 1.343 0.917 0 N-CA-C 110.426 -1.07 . . . . 73.109999999999999 110.426 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 m80 55.95 80.92 0.13 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.805 1.242 . . . . 74.120000000000005 111.297 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -116.77 -45.23 2.79 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.759 0.823 . . . . 73.540000000000006 109.991 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 m80 65.39 166.53 0.18 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.054 1.341 . . . . 75.109999999999999 112.185 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -84.44 -43.36 14.71 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.143 -0.48 . . . . 75.319999999999993 109.941 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 59.69 78.27 0.28 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.533 1.133 . . . . 70.400000000000006 110.49 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -113.89 125.79 54.45 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.629 -0.714 . . . . 74.439999999999998 109.974 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -121.36 -59.29 1.72 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.007 0.923 . . . . 51.030000000000001 109.288 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.8 t60 60.15 85.5 0.11 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.811 1.244 . . . . 71.540000000000006 110.208 -171.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -101.56 95.02 4.7 Favored Pre-proline 0 CA--C 1.551 1.016 0 N-CA-C 108.626 -0.879 . . . . 63.149999999999999 108.626 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -87.52 134.37 3.37 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.025 2.483 . . . . 73.099999999999994 112.853 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -77.83 152.84 33.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.105 0.562 . . . . 74.239999999999995 110.832 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.75 109.53 1.25 Allowed Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.81 -0.439 . . . . 72.120000000000005 112.707 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -110.08 67.11 0.64 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.784 0.802 . . . . 75.430000000000007 109.682 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.3 118.29 29.7 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.741 -0.663 . . . . 74.010000000000005 109.979 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -158.5 125.22 4.78 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.781 1.232 . . . . 74.530000000000001 108.532 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -158.51 150.6 21.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.042 0.937 . . . . 53.32 109.013 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.65 141.77 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.648 1.179 . . . . 74.129999999999995 111.777 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.26 -25.67 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.469 1.108 . . . . 74.019999999999996 111.527 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t 65.25 34.47 8.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.615 1.166 . . . . 75.219999999999999 110.349 -174.11 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.27 36.45 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 114.48 -1.237 . . . . 64.120000000000005 110.641 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.5 ttm -166.36 -57.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.217 0.607 . . . . 65.129999999999995 109.863 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t 56.19 95.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.437 1.495 . . . . 74.409999999999997 111.455 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.0 p -161.13 177.31 10.4 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.458 -1.246 . . . . 72.340000000000003 108.839 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt 64.22 94.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.825 1.25 . . . . 73.0 110.451 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.42 156.79 43.53 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 119.294 -0.725 . . . . 71.530000000000001 111.313 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.86 168.66 24.24 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.406 2.071 . . . . 73.040000000000006 111.598 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.07 26.77 0.97 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.557 0.743 . . . . 74.530000000000001 110.562 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.428 ' HA ' HG13 ' A' ' 33' ' ' VAL . 34.5 m -72.31 -28.42 28.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 124.392 1.077 . . . . 71.239999999999995 112.041 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.230000000000004 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 74.310000000000002 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.428 HG13 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.209999999999994 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 73.409999999999997 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 74.519999999999996 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 75.099999999999994 111.222 -174.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -85.27 -42.15 14.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.310000000000002 111.079 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -76.55 -34.01 58.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.065 -0.516 . . . . 73.430000000000007 111.236 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.6 p 52.67 -75.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 126.678 1.991 . . . . 74.310000000000002 112.493 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.18 5.22 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.396 -1.081 . . . . 71.239999999999995 110.396 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -96.36 124.84 40.5 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.499 -0.556 . . . . 64.420000000000002 109.499 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.59 155.82 27.02 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.075 0.95 . . . . 73.519999999999996 110.631 170.338 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.97 11.7 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.888 2.392 . . . . 75.109999999999999 113.03 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.673 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 63.54 37.83 10.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.334 1.454 . . . . 72.530000000000001 109.826 175.87 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . 0.511 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 74.219999999999999 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.109999999999999 109.46 173.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.510000000000005 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.219999999999999 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.319999999999993 109.3 168.654 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 71.319999999999993 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 73.019999999999996 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' SER . . . . . 0.511 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 75.420000000000002 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.420000000000002 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.209999999999994 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 65.200000000000003 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.310000000000002 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.040000000000006 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.019999999999996 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.673 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.409999999999997 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.319999999999993 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 73.120000000000005 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 75.230000000000004 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.239999999999995 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.519999999999996 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -74.14 -24.75 59.47 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.219999999999999 111.451 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 m 67.17 21.08 10.13 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.567 1.147 . . . . 51.420000000000002 113.095 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.81 -67.37 2.08 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 123.522 0.514 . . . . 64.25 112.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.64 96.9 3.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.213 1.005 . . . . 75.430000000000007 109.015 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -130.52 146.18 60.68 Favored Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 109.077 -0.712 . . . . 73.430000000000007 109.077 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.47 -15.5 49.97 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.915 2.41 . . . . 74.120000000000005 115.389 -176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.24 91.5 6.78 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.364 0.602 . . . . 73.129999999999995 109.616 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-N 114.59 -1.186 . . . . 74.340000000000003 108.74 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.507 0.194 . . . . 72.33 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 71.44 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 72.43 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 64.34 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 64.14 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 70.45 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.42 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.34 111.105 176.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.2 m-85 . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 121.306 0.574 . . . . 71.21 110.531 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.01 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.02 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 60.01 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 61.31 107.513 173.15 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 55.31 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.41 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.53 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.13 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.21 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.43 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.3 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 52.44 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 52.13 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 60.12 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 60.1 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 74.24 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.44 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.02 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 64.03 109.454 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.51 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-70 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 61.41 112.189 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 110.218 -0.289 . . . . 73.11 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 62.11 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.2 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 71.13 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.35 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 62.31 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.14 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.1 109.927 173.877 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 59' ' ' LEU . 66.0 m-85 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.377 0.608 . . . . 63.45 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 54.43 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.784 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 54.24 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.42 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.784 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.41 111.869 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.42 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.51 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.43 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.11 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.45 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 52.33 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 63.42 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.12 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.35 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.22 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 62.31 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.32 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 62.14 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.517 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.23 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.05 111.052 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 54.51 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.41 110.484 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.214 0.45 . . . . 72.44 112.214 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.43 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 63.35 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 52.31 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.43 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 71.12 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.32 111.012 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.347 0.594 . . . . 72.25 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 65.12 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.13 107.192 166.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 53.42 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 71.21 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.35 110.144 172.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.33 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 73.35 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 62.35 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.34 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 64.04 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.23 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.12 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.42 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 72.32 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 72.33 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.04 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.11 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 64.03 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 53.31 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 65.04 110.22 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.02 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 . . . . . 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 73.41 111.706 175.48 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.624 0.231 . . . . 72.23 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.22 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.43 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 70.0 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.31 111.739 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 73.44 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 72.0 110.696 175.646 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' A' ' 59' ' ' LEU . 61.1 m-85 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 109.537 -0.542 . . . . 63.41 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 52.33 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 63.25 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.11 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 73.54 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.1 110.555 174.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 60.22 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.42 111.485 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 53.0 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.2 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.498 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.41 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.12 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.53 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 51.04 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.23 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 64.31 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.31 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.52 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 53.7 t-80 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.12 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 65.45 111.086 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 71.5 110.686 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.51 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.21 110.822 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.554 1.107 0 CA-C-O 120.301 0.096 . . . . 73.3 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.54 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.21 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 70.22 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 74.32 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.51 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 71.1 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 54.3 110.774 173.315 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.682 -0.488 . . . . 71.41 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 54.14 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.52 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.04 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 71.44 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.33 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 61.21 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.42 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.24 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.32 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.35 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' LEU . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.24 111.429 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 72.32 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.54 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.55 111.346 -176.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 73.11 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.14 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 62.23 112.247 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 71.23 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.12 112.251 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 72.23 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.12 112.199 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 120.779 0.323 . . . . 54.24 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 72.23 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 63.43 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.02 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 74.55 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.22 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.23 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 65.24 111.288 178.68 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.618 ' HB3' HD22 ' A' ' 59' ' ' LEU . 58.5 m-85 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.032 0.444 . . . . 63.24 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.14 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.22 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 73.03 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 64.02 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.12 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 63.42 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.22 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 50.0 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.21 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.34 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 65.13 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.35 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.22 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.02 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.618 HD22 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.44 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.33 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.03 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 59' ' ' LEU . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 54.11 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.44 110.499 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.41 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.53 110.603 168.496 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.246 0.546 . . . . 62.01 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.41 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 51.34 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.51 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.41 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.373 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.53 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.45 111.752 -173.804 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' HA ' HD22 ' A' ' 59' ' ' LEU . 94.1 m-85 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 111.797 0.295 . . . . 62.45 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 53.31 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.35 110.26 175.603 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.34 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 63.44 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 44.0 112.543 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 62.24 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.21 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 65.21 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.3 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 45.13 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.13 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 74.45 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 51.24 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 70.21 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.1 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 71.5 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 73.22 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 71.21 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.14 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 64.22 109.96 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.1 110.864 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 52.04 110.323 174.391 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 112.429 0.529 . . . . 73.02 112.429 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 54.23 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 73.41 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.22 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 61.2 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 72.41 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.42 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.25 110.435 175.653 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 . . . . . 0 C--O 1.214 -0.805 0 N-CA-C 109.802 -0.444 . . . . 62.21 109.802 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.2 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.771 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.11 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.11 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.43 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.771 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.14 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 44.24 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.42 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 65.11 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 55' ' ' GLN . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 73.35 109.672 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 54' ' ' THR . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 72.41 109.455 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 65.22 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.42 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.23 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.52 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 62.1 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 64.11 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 64.22 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 61.01 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 23.8 m-70 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.11 111.084 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 112.024 0.379 . . . . 64.43 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.42 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.31 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.42 110.452 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 70.53 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.23 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.2 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.41 111.661 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.02 109.701 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.02 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 71.4 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.44 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.04 111.945 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 43.53 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 52.14 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 51.32 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.11 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 71.1 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.24 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 70.42 110.153 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.44 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 64.44 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.03 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 62.45 111.085 -172.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.45 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' A' ' 49' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 72.53 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.12 111.624 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 70.03 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 111.48 0.178 . . . . 74.24 111.48 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.44 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' HD12 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 55.41 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.51 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.23 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 50.43 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.52 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.34 111.686 -179.247 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 122.08 0.943 . . . . 72.34 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 73.32 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.35 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.22 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.44 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 51.34 110.989 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.52 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.34 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 71.24 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 64.21 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 61.23 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.53 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.04 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.21 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 71.45 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 73.51 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 62.25 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.54 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.44 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 54.12 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 73.32 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.21 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.34 110.345 173.212 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 73.22 110.19 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.2 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.444 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 63.42 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.53 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' SD ' ' A' ' 32' ' ' MET . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 72.31 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.45 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 65.14 111.036 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 59' ' ' LEU . 79.4 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.218 -0.29 . . . . 62.24 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.24 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.2 108.535 170.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.12 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.22 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 62' ' ' HIS . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.34 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.42 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.55 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.42 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.45 111.546 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 64.54 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 65.12 109.856 173.377 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 25.23 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 54.22 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.33 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.45 110.566 -175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 52.54 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.433 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.31 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.4 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 62.3 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 70.23 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.8 p80 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.21 111.524 176.85 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.684 0.624 . . . . 75.31 112.684 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 72.1 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 73.31 110.115 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.41 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 63.15 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 71.22 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 72.02 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 63.41 110.583 170.997 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 m-85 . . . . . 0 C--O 1.2 -1.514 0 CA-C-O 118.793 -0.623 . . . . 72.34 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.32 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.2 112.049 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.31 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.11 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.04 109.698 173.586 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.35 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.3 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 44.33 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 54.2 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.03 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 62.02 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 70.31 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 60.4 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 64.12 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.33 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.21 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.24 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.4 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.31 111.89 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.03 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.33 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.34 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 74.5 111.417 175.613 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 33' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.686 0.279 . . . . 64.01 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.45 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.23 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 71.01 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.42 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.15 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 62.32 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.34 112.386 177.536 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 120.786 0.326 . . . . 74.24 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 72.11 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.835 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.54 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 64.11 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.835 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.1 109.256 170.646 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.52 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 45.41 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 70.42 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.42 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.04 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' HG23 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.34 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 71.01 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.13 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.13 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.1 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.11 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 71.33 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 74.32 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 51.54 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 73.4 110.463 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 71.15 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.567 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 46.5 m-70 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 73.21 111.779 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.644 0.259 . . . . 72.23 110.686 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.43 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 64.24 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 53.12 110.305 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 62.01 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 65.33 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.3 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.34 113.059 -173.55 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' HD22 ' A' ' 59' ' ' LEU . 93.3 m-85 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.424 0.63 . . . . 62.42 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.14 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.03 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 63.35 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.44 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.13 110.638 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.04 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.11 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 42.35 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.23 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 71.54 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.43 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 63.41 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.44 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 64.51 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 65.53 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.05 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' NH1' HD11 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.42 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 52.51 111.945 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.413 HD11 HD23 ' A' ' 60' ' ' LEU . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.43 111.234 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.42 110.902 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 . . . . . 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.14 111.48 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.298 0.481 . . . . 74.31 112.298 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 72.15 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 52.22 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 70.53 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 62.31 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 55.21 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 74.4 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.42 110.648 176.879 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.669 0.271 . . . . 72.1 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 74.44 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.12 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.55 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 73.52 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.12 113.494 -169.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.55 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 65.14 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.44 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 64.44 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 73.34 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.2 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 63.23 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 73.33 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 61.24 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.43 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.34 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.44 111.297 -175.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 73.0 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 62.24 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 70.51 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 . . . . . 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 72.24 112.883 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 119.613 -0.232 . . . . 74.31 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 70.22 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 62.14 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 54.14 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 65.12 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 64.5 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.24 112.081 -179.162 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 59' ' ' LEU . 82.6 m-85 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 72.43 109.796 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.32 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 74.25 108.151 165.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 45.4 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.01 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.01 108.38 169.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 63.12 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 61.34 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.3 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.42 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 55' ' ' GLN . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 63.53 110.173 171.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 54' ' ' THR . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.15 108.79 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 65.35 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.13 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.02 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.43 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.15 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.1 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.02 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 73.13 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.32 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 . . . . . 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.22 111.025 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 112.363 0.505 . . . . 74.42 112.363 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 74.11 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 73.41 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.24 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.21 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.42 111.064 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 72.25 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 71.3 111.669 -178.087 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.2 m-85 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.659 0.266 . . . . 74.12 110.977 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 71.11 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 64.32 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.24 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.42 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.53 110.205 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.13 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.12 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 72.35 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.01 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 72.01 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.41 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.53 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 50.23 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 51.22 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.21 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.2 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 64.32 110.835 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.485 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.53 110.969 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 63.45 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 60.4 110.992 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 51.54 112.506 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 . . . . . 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.43 111.353 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 112.49 0.552 . . . . 75.22 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.14 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 62.42 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.22 110.506 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 64.35 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 74.45 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.43 110.173 179.198 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.514 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.222 0.534 . . . . 71.4 109.759 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.13 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.53 109.031 166.028 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 71.52 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 52.31 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.32 110.486 164.397 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.32 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 62.41 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 63.14 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.12 109.002 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.41 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 53.41 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 62.4 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.12 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 62.51 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.51 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.43 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.22 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.508 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.12 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.44 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.53 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.11 111.06 177.317 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 31' ' ' LEU . 12.2 m . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 112.722 0.638 . . . . 72.03 112.722 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.35 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 73.02 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.12 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.1 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.34 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.12 110.7 171.498 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.865 0.84 . . . . 74.04 111.585 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.33 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.35 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.13 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.12 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.22 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.44 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.43 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.01 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.21 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 51.23 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.53 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 70.13 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.52 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 71.34 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.22 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.43 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.02 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.21 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.54 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 72.23 110.743 174.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 54.01 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 . . . . . 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.21 111.363 171.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.5 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.041 0.386 . . . . 63.04 112.041 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.11 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 62.45 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.21 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 72.44 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 65.41 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 74.31 111.222 -174.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.31 111.079 -179.111 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 122.016 0.912 . . . . 72.53 109.826 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' HIS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 61.01 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.11 109.46 173.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.51 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.22 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.32 109.3 168.654 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 61.31 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 63.41 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 51.4 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.42 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.21 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 52.42 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.31 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.04 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.02 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.11 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.32 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 64.04 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 73.24 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.23 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.52 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.3 m-70 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.22 111.451 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.49 -0.559 . . . . 71.25 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.78 177.82 28.19 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.111 -0.495 . . . . 51.44 112.868 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -136.03 134.93 39.01 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.792 0.837 . . . . 75.04 110.034 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -152.97 122.93 6.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.829 0.851 . . . . 62.42 109.069 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -100.41 161.86 13.33 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.352 0.661 . . . . 72.54 110.403 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -143.8 104.88 4.23 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.685 0.794 . . . . 72.1 109.342 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -171.25 93.04 0.16 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.165 0.986 . . . . 62.42 109.941 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -141.94 84.1 1.87 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 107.491 -1.299 . . . . 75.23 107.491 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.5 t -91.99 128.24 37.75 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.733 -1.122 . . . . 54.44 111.376 -169.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -140.53 129.72 23.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.278 1.031 . . . . 73.12 108.558 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.0 ptm -136.38 146.14 54.71 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 122.972 0.509 . . . . 72.24 109.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.85 159.83 41.35 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.181 1.92 . . . . 64.14 112.495 174.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.29 169.45 20.62 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.43 1.092 . . . . 41.23 109.511 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.23 165.95 40.95 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.085 -0.507 . . . . 75.23 112.574 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -144.28 178.75 7.69 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.552 1.141 . . . . 64.44 109.126 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.41 158.2 16.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.209 0.604 . . . . 44.2 110.705 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -101.75 138.42 38.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.508 0.723 . . . . 74.34 109.502 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -145.78 27.11 1.22 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.961 0.904 . . . . 71.2 109.857 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.62 130.17 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.599 1.16 . . . . 70.23 111.822 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -78.64 130.97 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 122.914 0.485 . . . . 62.44 110.592 -172.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.1 m -146.55 91.11 2.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.787 0.835 . . . . 63.33 109.261 -176.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.3 52.27 0.13 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 111.403 -0.679 . . . . 72.41 111.403 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.3 mpt? -80.59 130.3 35.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.715 0.806 . . . . 71.14 109.23 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.26 137.94 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.486 0.714 . . . . 53.42 110.05 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.9 p -90.13 159.38 16.81 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.367 0.667 . . . . 62.33 110.29 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.3 147.3 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.363 1.065 . . . . 70.54 108.249 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.87 156.18 15.77 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.512 -0.604 . . . . 70.11 112.004 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.68 173.52 14.36 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.661 2.241 . . . . 65.31 111.311 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -73.26 89.3 1.55 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.102 -0.703 . . . . 62.31 109.102 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.59 -27.34 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.129 0.971 . . . . 72.33 110.853 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 71.44 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 72.43 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 64.34 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.7 m80 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 64.14 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 70.45 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.42 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m -66.06 -35.44 80.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.34 111.105 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -76.46 -23.82 53.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.614 . . . . 72.02 111.802 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.1 m -73.32 129.52 38.2 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.011 -0.737 . . . . 54.5 109.011 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.98 -76.25 0.26 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 123.721 0.638 . . . . 74.22 113.15 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.12 -42.2 0.13 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.144 0.978 . . . . 71.44 109.177 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -106.49 117.09 57.93 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.194 0.998 . . . . 73.54 108.447 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.86 103.6 0.5 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.253 1.969 . . . . 71.12 110.34 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.2 m-85 -73.26 79.06 1.31 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.699 0.8 . . . . 71.21 110.531 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.01 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.888 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.02 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 60.01 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 61.31 107.513 173.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 55.31 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.41 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.53 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.13 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.21 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.43 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.3 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 52.44 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 52.13 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 60.12 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 60.1 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 74.24 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.44 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.02 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 64.03 109.454 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.51 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -64.5 -34.15 77.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 61.41 112.189 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -75.01 160.2 30.83 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 123.467 0.479 . . . . 64.51 110.543 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.39 -10.09 56.48 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.6 0.6 . . . . 53.41 114.6 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -179.03 5.62 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.129 0.972 . . . . 64.01 109.29 174.644 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HD3' ' HG2' ' A' ' 64' ' ' LYS . 0.9 OUTLIER 72.36 131.73 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 124.62 1.168 . . . . 72.34 111.615 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.45 143.07 46.46 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.339 2.026 . . . . 74.5 111.035 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -88.64 93.08 9.44 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.477 -0.934 . . . . 61.33 108.477 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.341 0 C-N-CA 124.799 1.24 . . . . 75.12 109.59 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.888 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 108.862 -0.792 . . . . 74.14 108.862 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.79 163.33 23.8 Favored Glycine 0 C--N 1.34 0.795 0 N-CA-C 111.744 -0.542 . . . . 43.32 111.744 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -138.0 119.8 15.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.243 0.617 . . . . 71.24 109.489 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -159.32 131.46 6.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.954 0.901 . . . . 71.44 108.767 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -138.02 177.18 8.07 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.631 0.772 . . . . 65.34 109.914 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -153.75 144.2 22.36 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.429 -0.805 . . . . 70.35 108.914 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -163.98 72.03 0.24 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.803 0.811 . . . . 73.42 109.773 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -128.99 82.75 2.1 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.304 -0.862 . . . . 72.52 108.868 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 p -147.91 103.97 3.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.189 0.595 . . . . 74.43 109.71 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -137.86 95.97 3.14 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 107.039 -1.467 . . . . 73.03 107.039 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.473 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.1 mpt? -63.17 108.07 1.56 Allowed Pre-proline 0 N--CA 1.476 0.826 0 O-C-N 124.899 1.375 . . . . 71.41 111.614 -167.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.81 142.1 7.72 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 122.411 2.074 . . . . 72.05 112.152 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -151.48 161.96 41.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.345 0.658 . . . . 65.03 109.701 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -169.74 38.39 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 116.068 -0.514 . . . . 74.23 111.837 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 61.62 29.87 18.37 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.573 1.149 . . . . 73.23 112.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.48 95.36 3.85 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.134 -0.691 . . . . 75.42 109.134 173.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -155.67 147.14 22.82 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 73.4 110.341 -174.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -144.94 77.83 1.54 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.746 0.818 . . . . 74.44 109.447 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.69 115.06 22.47 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.667 -1.151 . . . . 61.51 110.431 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -127.6 107.17 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.354 0.662 . . . . 73.03 109.794 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -155.7 100.79 2.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.181 0.593 . . . . 42.1 109.795 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.68 31.42 4.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.976 -0.556 . . . . 45.34 112.82 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -72.2 99.76 2.43 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.562 0.696 . . . . 75.25 109.746 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -110.72 154.43 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.814 -0.63 . . . . 72.04 110.51 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -105.72 136.34 45.51 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.579 -0.897 . . . . 54.02 108.579 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.55 143.79 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.561 -0.533 . . . . 73.34 109.561 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 72.97 0.04 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.423 -0.671 . . . . 70.23 111.423 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.1 121.83 7.18 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.89 2.394 . . . . 74.52 111.766 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.53 65.95 8.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.368 1.08 . . . . 72.51 108.408 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.3 -24.48 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.45 -1.25 . . . . 73.11 110.218 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 62.11 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.2 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 71.13 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.35 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 62.31 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.14 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t -73.21 -37.84 66.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.1 109.927 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -65.43 -33.46 76.01 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.81 -0.632 . . . . 72.15 110.515 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.8 m -61.2 -56.67 18.01 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.875 0.734 . . . . 74.53 110.475 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.06 -84.09 0.12 Allowed Glycine 0 C--N 1.351 1.393 0 O-C-N 123.987 0.804 . . . . 71.31 112.126 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.08 113.58 8.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.958 0.903 . . . . 74.42 110.54 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -110.8 156.05 41.32 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 123.588 0.755 . . . . 74.33 109.097 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.1 110.07 1.09 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.739 1.626 . . . . 74.42 110.65 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 59' ' ' LEU . 66.0 m-85 -73.17 84.46 1.35 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.603 0.761 . . . . 63.45 109.971 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 54.43 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 54.24 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.42 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 71.32 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.41 111.869 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.42 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.51 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.43 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.11 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.45 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 52.33 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 63.42 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.12 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.35 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.22 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 62.31 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.32 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 62.14 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.517 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.23 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.05 111.052 174.502 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 54.51 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 -98.31 31.62 2.74 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.41 110.484 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.6 t 72.66 -171.29 0.14 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.374 1.07 . . . . 72.42 110.744 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.09 -26.68 70.52 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 116.41 -0.359 . . . . 32.42 113.293 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -82.81 80.65 8.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.389 1.076 . . . . 71.04 108.979 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.505 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 8.8 ptpp? -120.62 145.57 41.27 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 123.026 0.53 . . . . 74.14 110.714 -173.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.35 134.62 25.05 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.344 2.029 . . . . 73.43 111.732 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -153.79 -54.9 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.147 -0.686 . . . . 71.24 109.147 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.542 0.737 . . . . 62.12 110.6 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.41 -0.589 . . . . 72.33 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.04 148.43 19.66 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 112.361 -0.295 . . . . 71.32 112.361 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -100.06 23.52 9.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.615 0.766 . . . . 74.24 109.767 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -59.52 111.37 1.38 Allowed 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.384 1.074 . . . . 75.54 111.104 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -138.41 151.02 47.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.794 0.838 . . . . 74.23 109.319 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -128.66 122.45 30.84 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.029 -0.73 . . . . 72.41 109.029 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -74.18 95.2 2.56 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.727 0.642 . . . . 71.34 109.395 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -76.32 109.32 9.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.062 0.545 . . . . 74.22 110.467 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -151.54 145.82 25.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.871 0.868 . . . . 50.32 110.178 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -152.81 136.94 16.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.087 1.355 . . . . 71.33 108.221 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.5 tpt -122.44 95.95 46.42 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 122.737 0.415 . . . . 72.42 110.875 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.73 145.75 11.63 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.411 2.074 . . . . 71.12 111.431 168.243 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -90.06 162.49 15.31 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.598 -0.519 . . . . 72.23 109.598 169.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.95 90.72 0.13 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 112.176 -0.37 . . . . 74.43 112.176 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -123.25 118.31 27.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.3 -1.0 . . . . 71.52 108.3 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.73 99.62 9.6 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.576 0.75 . . . . 74.14 109.098 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -70.97 92.84 0.95 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.322 -0.992 . . . . 71.32 108.322 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.84 99.99 9.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.037 0.935 . . . . 74.33 108.802 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.06 119.41 28.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.433 0.693 . . . . 62.31 110.093 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -103.87 131.0 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.6 0.76 . . . . 73.41 109.929 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -117.27 81.36 1.63 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.783 0.833 . . . . 74.14 109.741 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.33 86.02 1.46 Allowed Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.609 -0.596 . . . . 63.04 111.609 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 ptp -158.26 175.52 13.64 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.987 0.915 . . . . 53.31 110.588 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t 58.01 88.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.651 1.18 . . . . 74.0 111.895 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.8 t -65.97 151.07 47.6 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.73 -0.668 . . . . 74.42 111.089 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 tp -144.91 159.0 14.07 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 C-N-CA 124.132 0.973 . . . . 74.44 108.986 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.54 91.35 1.9 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.268 -0.733 . . . . 73.33 111.268 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.08 178.45 5.29 Favored 'Trans proline' 0 C--N 1.37 1.666 0 C-N-CA 122.937 2.425 . . . . 72.22 112.063 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.34 30.09 0.91 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.169 0.588 . . . . 75.22 110.989 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m -62.82 -28.91 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.551 0.74 . . . . 72.44 112.214 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.43 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 63.35 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 52.31 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.43 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 71.12 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t -68.08 -29.04 67.89 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.32 111.012 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -103.19 22.85 13.34 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.997 0.919 . . . . 74.23 110.824 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 m -75.65 87.17 2.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.443 0.64 . . . . 63.55 109.683 176.31 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.81 45.37 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.308 -0.86 . . . . 62.02 111.809 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.82 104.26 8.26 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.337 0.655 . . . . 74.34 109.842 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.5 112.11 3.85 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.261 1.024 . . . . 72.22 110.697 170.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.87 83.45 1.79 Allowed 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.86 2.373 . . . . 74.25 112.49 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -100.11 60.31 1.05 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.305 -0.862 . . . . 72.25 109.619 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 65.12 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.632 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.13 107.192 166.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 53.42 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 71.21 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.872 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.35 110.144 172.734 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.33 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 73.35 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 62.35 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.34 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 64.04 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.23 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.12 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.42 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 72.32 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 72.33 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.04 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.11 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 64.03 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 53.31 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.686 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 65.04 110.22 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.02 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.8 -38.23 89.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 73.41 111.706 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -84.97 0.05 52.68 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.383 -0.826 . . . . 71.23 111.744 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.76 49.4 63.97 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.962 -0.855 . . . . 41.44 110.962 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.686 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 39.5 tt0 70.11 139.3 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.864 1.666 . . . . 72.22 110.8 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 64' ' ' LYS . 15.5 ptmt -147.33 154.23 45.32 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.092 0.557 . . . . 53.34 110.55 -174.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.38 63.96 5.43 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.216 2.611 . . . . 72.14 112.799 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -86.23 104.77 16.08 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.683 -0.689 . . . . 73.5 109.193 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HE2' ' HA ' ' A' ' 73' ' ' LYS . 11.4 mmpt? . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.456 -0.783 . . . . 73.34 108.976 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.872 'ZN ' ' HG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.754 -0.462 . . . . 72.22 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.4 56.02 0.17 Allowed Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.425 -0.67 . . . . 74.21 111.425 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -84.75 121.22 27.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.797 0.839 . . . . 72.53 110.298 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -71.29 132.52 45.03 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.609 -0.515 . . . . 74.44 109.609 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -157.65 105.39 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.888 -0.782 . . . . 65.53 108.888 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -71.17 153.34 42.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 122.988 0.515 . . . . 72.44 109.706 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -103.53 -164.27 1.06 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.601 0.76 . . . . 62.4 110.645 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.84 165.63 19.38 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.718 0.77 . . . . 74.53 113.071 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -138.78 -174.14 3.75 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.191 1.396 . . . . 72.33 108.869 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -144.46 117.54 8.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.345 1.058 . . . . 73.03 108.33 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.7 mtp -126.54 87.86 55.54 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.273 0.629 . . . . 61.14 110.381 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.72 108.08 2.56 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.646 2.23 . . . . 75.54 111.373 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -91.19 135.54 33.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.529 0.732 . . . . 71.24 110.715 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.68 -174.92 54.94 Favored Glycine 0 C--N 1.341 0.86 0 O-C-N 123.761 0.663 . . . . 61.31 113.635 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 153.65 17.14 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.438 1.095 . . . . 54.11 108.686 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -108.58 -172.07 1.98 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.277 -0.638 . . . . 63.15 109.277 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -114.44 145.29 42.05 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.433 -0.951 . . . . 71.13 108.433 174.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -126.58 78.33 1.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.923 0.889 . . . . 53.41 109.523 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 123.16 28.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.321 -0.854 . . . . 73.02 110.524 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.67 108.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.029 0.931 . . . . 63.41 108.72 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB2' ' HG2' ' A' ' 23' ' ' MET . 27.5 p -99.65 129.57 45.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.723 0.809 . . . . 30.52 109.963 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.31 1.7 88.28 Favored Glycine 0 C--N 1.347 1.151 0 C-N-CA 122.702 0.191 . . . . 60.03 113.225 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 27.1 ptt? -76.06 4.76 7.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.183 0.993 . . . . 74.32 112.283 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.8 -26.09 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.109 0.963 . . . . 73.01 111.971 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.18 115.29 27.24 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.428 -0.953 . . . . 64.55 108.428 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 pt -117.12 167.21 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.579 0.752 . . . . 63.51 109.722 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.77 110.9 0.63 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.152 -1.179 . . . . 54.3 110.152 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HB2' HG12 ' A' ' 30' ' ' VAL . 24.3 Cg_exo -64.5 134.8 42.97 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.684 2.256 . . . . 72.14 112.298 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.36 -3.53 14.53 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.788 1.235 . . . . 72.12 111.967 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 28' ' ' PRO . 14.1 p -52.42 -30.63 14.38 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 124.491 1.116 . . . . 72.23 111.624 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.22 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.43 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 70.0 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HA ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.31 111.739 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 73.44 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.9 -36.09 31.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 72.0 110.696 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 48.6 t-80 -76.66 88.21 3.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.952 0.901 . . . . 71.24 110.0 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -156.02 169.93 23.32 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.867 -1.06 . . . . 74.32 109.48 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.85 37.28 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.347 -0.301 . . . . 64.13 112.347 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.97 106.99 7.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.533 -0.914 . . . . 71.35 108.533 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -80.68 150.66 70.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 123.797 0.839 . . . . 64.33 111.661 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.23 92.8 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.601 2.201 . . . . 75.34 111.152 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' A' ' 59' ' ' LEU . 61.1 m-85 -72.35 135.37 45.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.265 -0.88 . . . . 63.41 109.537 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 52.33 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 63.25 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.11 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 44.9 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 73.54 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.1 110.555 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 60.22 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.42 111.485 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 53.0 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.2 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.498 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.41 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.12 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.53 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 51.04 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.23 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 64.31 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.31 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 39.8 t60 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.12 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 65.45 111.086 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.611 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 71.5 110.686 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.51 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 -62.76 -41.1 99.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.21 110.822 171.452 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -117.14 21.16 13.37 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.504 0.722 . . . . 55.24 110.709 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.55 -80.24 1.32 Allowed Glycine 0 C--N 1.35 1.326 0 CA-C-N 116.108 -0.496 . . . . 74.44 112.0 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -125.31 27.34 6.62 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.34 1.056 . . . . 65.12 110.36 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.611 ' HD2' ' HA ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 68.76 173.63 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 124.131 0.972 . . . . 71.12 110.018 -173.83 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -48.46 111.7 0.49 Allowed 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 122.187 1.925 . . . . 73.42 112.432 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -64.28 -26.16 68.37 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.96 -1.018 . . . . 54.12 111.759 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.458 1.103 . . . . 61.12 108.509 177.888 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.217 -0.66 . . . . 72.11 109.217 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.24 155.64 19.84 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 116.197 -0.456 . . . . 42.44 113.311 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -160.23 156.34 26.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.374 1.07 . . . . 65.14 109.696 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 60.51 88.38 0.08 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.865 1.266 . . . . 73.53 111.479 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -144.62 99.3 3.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.574 -0.528 . . . . 74.41 109.574 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -138.04 122.49 18.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.7 -0.852 . . . . 54.31 108.7 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.24 108.79 4.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.36 0.664 . . . . 75.22 109.76 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.9 126.69 9.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.615 1.166 . . . . 63.32 108.235 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -143.14 100.57 3.66 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.253 0.621 . . . . 72.12 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -146.09 135.5 23.0 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.499 -0.926 . . . . 75.21 108.499 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.6 mtt -117.84 111.46 39.21 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.645 0.778 . . . . 75.42 110.55 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -61.86 114.0 2.1 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.737 2.291 . . . . 72.45 112.553 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -137.34 154.27 50.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.813 0.845 . . . . 71.34 110.666 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.9 72.4 0.02 OUTLIER Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.164 -0.471 . . . . 64.01 112.123 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -88.75 142.83 27.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.622 0.769 . . . . 72.03 109.495 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -172.69 143.46 1.29 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.558 1.143 . . . . 64.13 108.446 -171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -154.51 98.37 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.374 0.67 . . . . 74.43 109.679 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -166.65 91.67 0.43 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.98 0.912 . . . . 63.41 109.588 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.62 104.95 3.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.459 0.704 . . . . 73.43 109.466 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.7 m -100.39 164.78 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.988 0.915 . . . . 60.32 110.953 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -160.23 128.87 4.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.675 0.79 . . . . 73.5 109.965 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.57 25.4 25.69 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 116.436 -0.347 . . . . 13.35 112.774 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.504 ' HG2' HG23 ' A' ' 24' ' ' VAL . 46.9 ttm -82.16 136.9 35.07 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.052 -0.722 . . . . 71.23 109.052 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 23' ' ' MET . 58.0 t 61.8 80.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 C-N-CA 124.232 1.013 . . . . 61.13 110.576 -177.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.5 t -169.54 79.5 0.11 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.852 0.861 . . . . 73.21 109.316 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -159.87 130.17 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.933 0 CA-C-N 115.272 -0.877 . . . . 74.34 108.948 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.36 136.97 6.17 Favored Glycine 0 C--N 1.336 0.538 0 CA-C-O 118.013 -1.437 . . . . 72.54 109.799 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.81 111.2 0.46 Allowed 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.19 2.593 . . . . 52.42 113.879 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -65.22 -24.21 67.28 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.984 0.913 . . . . 70.35 110.483 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.47 -32.99 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.453 0.701 . . . . 73.3 110.873 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.54 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.21 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 70.22 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 74.32 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.51 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 71.1 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -75.72 -33.81 60.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 54.3 110.774 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -89.13 -24.8 22.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.917 0.487 . . . . 43.24 111.775 -174.433 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 p -70.35 95.18 1.0 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.602 -0.518 . . . . 74.24 109.602 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.29 -55.26 4.74 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.699 -0.682 . . . . 61.33 113.121 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.22 78.09 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.155 0.982 . . . . 73.03 108.606 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' H ' ' HD3' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -115.35 102.89 54.57 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 114.657 -1.156 . . . . 61.51 109.609 -173.906 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.05 91.09 0.74 Allowed 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 122.201 1.934 . . . . 75.53 111.442 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.36 123.74 17.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.332 -0.849 . . . . 71.41 109.682 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 54.14 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.874 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.52 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.04 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 71.44 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.33 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 61.21 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.42 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.24 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.32 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 73.11 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.35 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' LEU . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.24 111.429 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 72.32 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.54 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.55 111.346 -176.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 73.11 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.14 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 62.23 112.247 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 71.23 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.12 112.251 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 72.23 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 -107.19 5.48 27.79 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.12 112.199 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -61.36 -34.57 75.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.952 0.501 . . . . 73.5 110.916 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.92 45.27 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.847 -0.615 . . . . 71.32 111.64 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 58.61 83.47 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.827 0.851 . . . . 71.21 110.5 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . 99.5 mttt -121.74 158.73 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 123.529 0.732 . . . . 71.53 110.65 -176.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.02 119.68 5.69 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.586 2.857 . . . . 70.31 112.707 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -49.44 -60.15 3.1 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.159 1.384 . . . . 74.02 112.71 -172.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.601 ' H ' ' HD3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 O-C-N 123.841 0.713 . . . . 62.4 112.129 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.874 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.537 -0.542 . . . . 62.42 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.94 97.08 0.12 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.932 -0.867 . . . . 61.25 110.932 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.56 144.95 33.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.734 1.213 . . . . 71.05 109.027 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -152.16 146.54 25.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.343 0.657 . . . . 54.31 110.437 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -109.38 117.18 33.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.532 0.733 . . . . 63.01 109.378 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -149.18 88.91 1.61 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.716 -0.846 . . . . 74.3 108.716 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 48.9 t60 -78.79 116.63 19.26 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.474 -0.784 . . . . 63.43 110.213 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -117.66 89.51 3.13 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 73.23 108.113 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -89.43 90.46 8.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.642 0.777 . . . . 42.43 111.38 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -84.52 86.83 7.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 75.32 108.453 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -128.04 108.6 19.95 Favored Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 123.649 0.78 . . . . 72.01 111.158 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.45 121.7 2.29 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.824 2.349 . . . . 74.54 112.687 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -149.86 139.37 21.54 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.996 -0.742 . . . . 72.11 108.996 174.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.68 109.38 0.63 Allowed Glycine 0 C--N 1.338 0.686 0 N-CA-C 110.794 -0.922 . . . . 53.44 110.794 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.29 115.26 20.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.397 0.679 . . . . 73.45 109.313 174.278 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.95 145.93 22.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.458 0.703 . . . . 75.31 110.097 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -166.65 116.52 0.91 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.372 0.669 . . . . 75.14 110.802 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -122.67 143.12 49.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.051 0.94 . . . . 51.24 109.685 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.4 153.99 44.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.739 0.816 . . . . 74.53 108.991 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -67.49 -21.0 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.308 0.643 . . . . 62.21 112.086 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.8 m 71.06 -66.25 0.3 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.83 1.652 . . . . 52.31 112.366 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.61 57.82 4.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.257 0.456 . . . . 52.35 112.554 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.3 ttm -86.0 107.62 17.85 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.255 -1.017 . . . . 71.31 108.255 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t 55.52 84.77 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 O-C-N 124.248 0.968 . . . . 73.01 109.863 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.06 75.47 1.45 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.429 0.692 . . . . 63.21 109.52 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 pt -129.36 157.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.246 1.019 . . . . 75.14 110.399 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.48 77.55 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.649 -0.705 . . . . 65.53 111.527 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.88 174.19 13.23 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 123.209 2.606 . . . . 74.2 112.4 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -81.83 80.06 8.22 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.463 0.649 . . . . 74.53 110.111 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.4 -26.21 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.969 0.908 . . . . 54.24 111.231 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 72.23 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 63.43 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.02 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 31.2 m80 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 74.55 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.22 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.23 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m -62.99 -42.13 99.76 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 65.24 111.288 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -79.16 78.58 5.63 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.271 0.558 . . . . 45.51 110.562 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 p -77.58 93.31 4.17 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.794 0.837 . . . . 72.14 110.116 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.98 135.97 12.72 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.121 -0.822 . . . . 72.22 111.385 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.1 124.52 20.48 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.459 0.63 . . . . 74.11 109.694 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -55.45 140.78 64.65 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.917 1.287 . . . . 74.5 111.114 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.55 91.68 0.11 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 121.434 1.423 . . . . 61.34 110.411 167.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.618 ' HB3' HD22 ' A' ' 59' ' ' LEU . 58.5 m-85 -66.43 87.82 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.28 -1.327 . . . . 63.24 111.108 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.14 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.834 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.22 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 73.03 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 64.02 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.12 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 63.42 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.22 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 50.0 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.21 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.34 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 65.13 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.35 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.22 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.02 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD22 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.44 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.33 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.03 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG13 ' HE2' ' A' ' 70' ' ' LYS . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 54.11 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.44 110.499 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.41 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -59.71 -41.82 91.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.53 110.603 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t 71.78 141.03 0.05 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.036 1.334 . . . . 75.44 112.302 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.26 -36.42 4.14 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 112.119 -0.392 . . . . 45.51 112.119 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.97 -33.02 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.114 0.966 . . . . 60.44 110.972 172.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 3.9 mptp? -103.93 143.21 26.2 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 114.602 -1.181 . . . . 74.5 108.394 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.09 162.35 42.1 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.404 2.069 . . . . 75.54 111.015 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.8 t80 63.14 72.68 0.48 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.393 1.058 . . . . 73.23 109.612 -170.297 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt . . . . . 0 CA--C 1.566 1.59 0 C-N-CA 125.542 1.537 . . . . 65.33 111.971 173.813 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.834 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.98 -0.748 . . . . 70.42 108.98 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.07 101.45 0.2 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.592 -0.603 . . . . 53.33 111.592 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -84.4 -19.06 34.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.233 0.613 . . . . 72.12 110.269 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.41 105.95 0.69 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.211 0.605 . . . . 72.04 110.809 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -143.26 80.92 1.69 Allowed 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.012 -1.107 . . . . 71.42 108.012 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.89 98.62 4.21 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.12 0.968 . . . . 71.34 108.645 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -100.07 115.59 30.12 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.792 -1.188 . . . . 70.41 107.792 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -136.05 -31.08 0.93 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.553 0.741 . . . . 73.41 109.529 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 m 58.49 -98.29 0.08 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.146 1.378 . . . . 70.32 112.416 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 178.95 43.87 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.124 0.57 . . . . 73.42 111.161 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.0 ttm -120.76 86.39 40.75 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.437 -0.789 . . . . 55.5 110.792 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -99.93 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 123.941 3.094 . . . . 75.33 112.581 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -101.26 148.72 24.79 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.674 0.389 . . . . 74.13 110.907 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.2 51.33 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.315 1.009 . . . . 75.11 110.712 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -122.27 -36.02 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.072 0.949 . . . . 65.14 110.7 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.47 120.05 21.16 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.837 -0.619 . . . . 75.43 110.181 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -135.99 145.1 45.77 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.834 0.854 . . . . 72.24 109.293 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.1 m -126.24 162.63 25.0 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.019 0.928 . . . . 74.24 110.286 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -149.71 128.89 12.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.926 0.49 . . . . 62.41 110.302 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.36 146.79 12.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.451 0.7 . . . . 74.11 109.203 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -162.05 150.78 15.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.657 0.783 . . . . 62.31 109.795 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.81 157.92 21.82 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.511 -0.313 . . . . 55.43 113.437 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.3 tpt -156.84 108.46 2.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.042 -1.095 . . . . 74.44 108.042 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -98.79 158.89 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.426 0.691 . . . . 42.41 111.916 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.7 m -97.33 141.16 30.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 73.14 110.183 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG12 ' HD3' ' A' ' 28' ' ' PRO . 13.9 tt -153.99 135.78 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.994 0.918 . . . . 74.32 108.729 174.813 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.53 72.15 0.14 Allowed Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.834 -1.306 . . . . 74.13 109.834 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' HD3' HG12 ' A' ' 26' ' ' ILE . 55.4 Cg_endo -66.26 150.17 84.87 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.811 2.341 . . . . 50.55 112.712 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.53 -1.96 26.74 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.381 0.673 . . . . 73.04 111.855 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.31 -31.65 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.244 0.617 . . . . 62.01 110.325 169.386 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.41 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 51.34 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.51 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.41 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 39' ' ' THR . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.52 111.373 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.53 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.51 -26.5 45.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.45 111.752 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -134.56 96.01 3.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.52 0.728 . . . . 74.12 109.469 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 35' ' ' LYS . 14.1 t -153.65 174.6 14.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.071 0.949 . . . . 71.51 109.797 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.67 170.54 41.81 Favored Glycine 0 C--O 1.241 0.559 0 N-CA-C 111.134 -0.786 . . . . 73.54 111.134 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.76 72.11 6.45 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.899 0.857 . . . . 63.32 108.979 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -72.19 149.41 91.82 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.028 -1.442 . . . . 74.52 109.804 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.99 4.72 1.71 Allowed 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.232 2.622 . . . . 55.22 113.72 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' HA ' HD22 ' A' ' 59' ' ' LEU . 94.1 m-85 -80.6 12.4 3.13 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.948 0.899 . . . . 62.45 111.797 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 53.31 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.35 110.26 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.34 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 63.44 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 44.0 112.543 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 62.24 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.21 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 65.21 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.3 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 45.13 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.13 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 74.45 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 51.24 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 70.21 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.1 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 71.5 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 73.22 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 71.21 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.14 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 64.22 109.96 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.1 110.864 172.134 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -70.27 -35.71 73.93 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 52.04 110.323 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 m -81.87 88.1 6.35 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.366 0.666 . . . . 51.51 111.131 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.51 9.75 86.57 Favored Glycine 0 N--CA 1.475 1.236 0 CA-C-N 116.101 -0.5 . . . . 60.0 114.117 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 39.6 mt-10 67.47 108.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.598 1.159 . . . . 61.22 112.066 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 14.1 mptt -106.18 134.92 19.55 Favored Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.463 0.705 . . . . 52.32 109.259 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.87 158.19 50.4 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.252 2.634 . . . . 74.21 112.912 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -72.35 -22.2 61.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.581 0.752 . . . . 72.42 110.243 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.25 1.09 0 C-N-CA 124.078 0.951 . . . . 73.33 109.714 179.103 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.663 -0.495 . . . . 74.14 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.01 175.47 17.25 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.22 -0.445 . . . . 55.35 112.378 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -140.51 -160.08 1.03 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.646 1.178 . . . . 74.23 108.736 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 69.06 23.36 6.56 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 124.574 1.15 . . . . 75.3 111.62 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -63.13 136.75 57.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.77 0.428 . . . . 50.34 110.288 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m170 67.59 84.61 0.15 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.438 1.095 . . . . 73.3 110.282 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.18 97.92 3.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.455 0.645 . . . . 64.0 109.543 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -155.7 127.92 7.66 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.246 -0.649 . . . . 72.13 109.246 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.24 168.38 26.64 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.009 0.924 . . . . 74.34 109.194 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -151.07 178.21 9.42 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.955 0.407 . . . . 72.15 110.287 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' MET . . . . . 0.443 ' SD ' ' N ' ' A' ' 11' ' ' MET . 1.3 mpt? -85.56 140.49 35.95 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.865 0.866 . . . . 65.24 110.029 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.91 125.62 19.6 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.61 2.873 . . . . 73.31 113.332 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -117.89 144.32 45.54 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.744 0.818 . . . . 74.43 110.298 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.14 78.77 0.04 OUTLIER Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.368 -0.693 . . . . 54.32 111.368 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -87.49 65.57 8.67 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.986 0.915 . . . . 74.31 111.352 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.79 126.53 41.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.88 0.472 . . . . 53.13 110.244 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -165.55 159.12 16.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.164 0.986 . . . . 73.35 109.049 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.5 p -162.53 128.72 3.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.918 0.487 . . . . 71.4 110.557 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.66 147.77 17.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.521 1.128 . . . . 74.32 109.181 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.59 143.12 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.189 0.996 . . . . 71.12 109.436 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.8 m -141.38 177.69 7.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.712 0.805 . . . . 70.45 110.628 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.37 92.18 1.64 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.256 -0.738 . . . . 45.52 111.256 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.96 162.68 26.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.318 0.647 . . . . 74.14 110.869 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -126.57 131.49 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.101 -0.703 . . . . 72.54 109.101 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -161.14 70.99 0.39 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.692 0.758 . . . . 43.53 109.742 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -104.42 127.9 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.59 -0.893 . . . . 65.13 108.59 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.66 65.28 0.1 OUTLIER Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.587 -0.563 . . . . 53.22 112.037 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' HG13 ' A' ' 30' ' ' VAL . 56.5 Cg_endo -68.75 176.06 6.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.758 2.305 . . . . 75.44 112.668 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -84.97 36.65 0.63 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.941 0.496 . . . . 63.44 112.112 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 28' ' ' PRO . 23.2 m -57.73 -29.85 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.059 0.944 . . . . 73.02 112.429 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 54.23 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 73.41 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.22 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 61.2 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 72.41 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.42 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t -71.72 -27.18 62.83 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.25 110.435 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -74.42 -39.64 62.49 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.119 0.568 . . . . 51.43 110.219 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 p -69.48 101.98 1.7 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 109.58 -0.526 . . . . 53.43 109.58 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 63.63 3.77 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 116.208 -0.451 . . . . 73.14 112.472 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -91.42 98.74 11.87 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.783 -1.192 . . . . 70.2 107.783 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.55 111.82 13.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.943 -0.762 . . . . 75.24 108.943 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.43 154.61 29.04 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.034 2.489 . . . . 63.21 113.325 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 -71.78 96.79 1.68 Allowed 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.57 -0.741 . . . . 62.21 109.802 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.2 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.11 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.11 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.43 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.14 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 44.24 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.42 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 65.11 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 55' ' ' GLN . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 73.35 109.672 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 54' ' ' THR . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 72.41 109.455 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 65.22 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.42 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.23 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 72.13 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.52 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 62.1 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 64.11 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.574 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 64.22 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 61.01 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.18 -21.55 60.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.11 111.084 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -85.41 11.84 9.54 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.944 0.898 . . . . 75.52 112.052 -175.443 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.38 -136.93 13.71 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 113.947 0.339 . . . . 61.22 113.947 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.71 80.56 8.01 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.148 -0.686 . . . . 62.21 109.148 -171.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG2' ' HB3' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -92.65 148.9 37.05 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 109.635 -0.506 . . . . 74.21 109.635 175.071 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.27 98.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 123.261 2.641 . . . . 64.1 112.705 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -62.35 -33.88 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.329 1.051 . . . . 63.25 110.06 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.439 1.096 . . . . 53.44 108.912 174.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.843 -0.428 . . . . 72.21 109.843 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.03 39.19 0.19 Allowed Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.142 -0.783 . . . . 73.34 111.142 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -117.31 84.15 2.11 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.197 0.999 . . . . 74.52 108.911 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -79.15 95.33 5.56 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.609 -0.885 . . . . 72.03 108.609 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -68.95 127.5 33.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.979 0.911 . . . . 73.42 110.511 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.97 148.49 13.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.767 0.827 . . . . 72.42 109.959 -171.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -159.58 140.87 12.78 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.28 0.632 . . . . 74.34 110.726 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -160.82 136.92 8.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.026 0.93 . . . . 74.12 108.928 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -152.18 144.74 24.17 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.114 0.566 . . . . 71.33 110.769 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -158.48 168.97 25.5 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.88 0.872 . . . . 74.3 109.72 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.6 121.8 11.0 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.117 0.567 . . . . 53.3 109.847 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.12 82.53 0.19 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.212 2.608 . . . . 25.04 112.112 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -115.45 109.92 18.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.131 0.972 . . . . 71.43 109.301 177.146 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.97 40.66 0.55 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.371 -0.377 . . . . 53.3 112.306 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -88.9 -21.01 23.84 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.544 0.738 . . . . 73.15 110.732 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.56 120.15 8.33 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.119 0.568 . . . . 62.0 111.98 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -115.12 156.06 25.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.656 0.782 . . . . 71.32 110.076 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.2 m -146.73 105.15 3.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.692 0.797 . . . . 41.51 109.197 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -160.83 165.25 30.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.51 0.724 . . . . 73.24 110.033 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.83 139.98 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.13 0.572 . . . . 63.0 110.604 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -152.27 130.72 12.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.75 -0.833 . . . . 75.21 108.75 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.13 103.75 0.19 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.779 -0.528 . . . . 71.1 111.779 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.3 mtp -137.13 135.45 37.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.008 0.923 . . . . 72.35 108.728 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 139.07 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.672 0.789 . . . . 72.45 109.761 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.5 m -132.97 117.76 18.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.55 -0.907 . . . . 63.34 108.55 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.6 tt -141.06 146.34 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.15 0.98 . . . . 74.01 109.529 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.71 58.05 9.96 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 119.321 -0.711 . . . . 72.34 113.573 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.65 -60.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.978 2.452 . . . . 74.34 112.42 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.44 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.7 m120 -121.3 7.43 10.19 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.532 0.733 . . . . 61.14 111.013 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -58.85 -31.54 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.12 0.568 . . . . 64.43 112.024 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.42 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.31 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 29' ' ' ASN . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.42 110.452 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 70.53 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.23 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.2 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -62.71 -23.32 67.09 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.41 111.661 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 80.1 m80 -93.72 109.39 21.06 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.509 0.723 . . . . 71.25 110.035 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -85.27 95.45 9.2 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.084 -0.71 . . . . 74.22 109.084 170.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 162.58 47.39 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.804 -0.635 . . . . 63.2 113.442 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 61.21 -156.13 0.35 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.178 0.991 . . . . 55.24 110.96 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.98 143.54 86.6 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.454 0.702 . . . . 74.13 109.328 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.19 117.41 4.34 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 122.249 1.966 . . . . 72.45 111.75 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 -85.02 60.41 6.23 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.02 109.701 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.827 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.02 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 71.4 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.44 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.04 111.945 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 43.53 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 52.14 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 51.32 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.11 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 71.1 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.24 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 70.42 110.153 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.44 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 64.44 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.03 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 62.45 111.085 -172.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HB3' ' HB2' ' A' ' 72' ' ' PHE . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.45 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 72.53 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.659 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.12 111.624 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 70.03 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -78.03 -28.04 48.93 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 m -89.22 19.64 4.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.998 0.919 . . . . 73.02 112.619 -172.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.57 36.74 1.26 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-O 120.0 -0.333 . . . . 55.21 112.747 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 56.91 40.17 29.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.014 0.925 . . . . 71.02 111.418 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HB2' ' HB3' ' A' ' 64' ' ' LYS . 95.2 mttt -70.27 139.34 87.17 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 115.719 -0.673 . . . . 75.1 110.97 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.37 116.94 3.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.532 2.821 . . . . 72.2 112.715 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 51.6 p90 -73.5 -26.47 60.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.309 0.643 . . . . 74.12 111.764 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.14 0.576 . . . . 61.32 109.956 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.827 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.041 -0.355 . . . . 74.51 110.041 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.35 125.57 0.93 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 110.669 -0.972 . . . . 74.35 110.669 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -150.99 163.81 37.87 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 117.251 0.525 . . . . 75.34 111.441 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -115.4 -164.13 0.93 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.69 -1.226 . . . . 72.44 107.69 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -145.71 166.13 26.74 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.601 -0.518 . . . . 62.43 109.601 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -79.24 145.07 33.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.226 0.611 . . . . 74.44 110.626 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -99.3 0.23 42.6 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 122.985 0.514 . . . . 64.12 111.85 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 60.71 91.54 0.05 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.514 1.126 . . . . 74.25 111.856 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -76.67 96.52 4.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.071 0.548 . . . . 73.21 111.49 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -156.22 146.18 21.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.298 -1.001 . . . . 75.43 108.298 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -141.82 149.37 52.94 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.218 0.607 . . . . 73.51 109.825 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.96 155.48 20.03 Favored 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 122.27 1.98 . . . . 51.04 111.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -111.32 119.88 40.37 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.277 -1.009 . . . . 63.41 108.277 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 55.51 4.73 Favored Glycine 0 C--N 1.349 1.268 0 C-N-CA 122.991 0.329 . . . . 34.5 113.314 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -84.39 147.3 27.22 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 72.31 110.683 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.55 176.3 8.84 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.331 1.052 . . . . 74.43 109.733 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -138.24 147.04 43.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.721 0.408 . . . . 75.31 109.939 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.68 117.01 7.5 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.217 1.007 . . . . 70.13 110.236 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -68.81 152.19 45.64 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.267 0.627 . . . . 72.02 110.513 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.05 130.87 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.719 0.808 . . . . 64.15 111.507 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -89.79 163.34 15.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.104 0.962 . . . . 64.45 109.689 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.36 133.27 7.64 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.411 -0.676 . . . . 61.44 111.411 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ptm -105.45 166.8 10.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.415 0.686 . . . . 75.51 110.817 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -84.68 149.61 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.531 -0.759 . . . . 75.22 109.304 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -144.38 158.0 43.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.014 0.926 . . . . 75.41 108.605 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -61.96 133.53 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 N-CA-C 109.882 -0.414 . . . . 74.32 109.882 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.15 -161.6 26.99 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 119.822 -0.432 . . . . 60.33 113.01 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HB2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_exo -66.67 163.23 33.81 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 123.04 2.493 . . . . 71.04 112.796 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.34 57.45 4.49 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.307 1.051 . . . . 64.13 109.68 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 28' ' ' PRO . 35.6 m -74.11 -26.75 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 114.697 -1.138 . . . . 74.24 111.48 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.44 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' HD12 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 55.41 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.51 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.23 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 50.43 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.52 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -59.15 -37.63 77.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.34 111.686 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.64 -65.06 0.98 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 63.44 110.982 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.7 m 68.45 144.0 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.221 1.408 . . . . 74.4 112.258 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.29 -117.22 0.58 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.234 -0.746 . . . . 52.13 111.234 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -81.05 139.48 35.69 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.08 0.552 . . . . 72.31 110.451 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.44 137.81 32.25 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 123.916 0.886 . . . . 74.3 109.925 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.24 -6.33 16.4 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.806 2.338 . . . . 63.44 113.495 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 54.01 60.97 3.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.605 1.162 . . . . 72.34 110.915 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 73.32 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.35 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.22 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.44 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.763 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 51.34 110.989 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.52 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.34 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 71.24 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 64.21 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 61.23 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.53 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.04 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.21 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 71.45 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 73.51 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 62.25 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.54 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.44 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 54.12 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 73.32 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.21 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -66.71 -38.82 87.5 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.34 110.345 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.3 m 59.68 93.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.665 1.228 . . . . 75.42 111.418 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.5 -49.21 0.07 OUTLIER Glycine 0 C--N 1.345 1.029 0 CA-C-N 116.486 -0.324 . . . . 75.42 112.355 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.26 2.35 21.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.481 0.712 . . . . 64.44 112.692 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -128.6 159.75 66.29 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.773 1.229 . . . . 75.21 109.529 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.78 150.21 78.79 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.157 1.905 . . . . 65.54 111.011 166.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -73.43 -44.07 59.02 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.217 0.607 . . . . 73.22 109.699 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt . . . . . 0 C--O 1.249 1.068 0 C-N-CA 123.717 0.807 . . . . 74.12 109.631 176.135 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.763 'ZN ' ' HG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.427 -0.583 . . . . 54.11 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.94 75.74 0.25 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.376 -0.69 . . . . 42.32 111.376 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 153.27 21.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.578 0.751 . . . . 73.34 109.78 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -145.99 -62.7 0.32 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.789 0.836 . . . . 71.14 109.768 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 60.23 95.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.097 0.959 . . . . 74.44 110.63 -173.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -61.24 136.37 58.03 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.024 0.53 . . . . 64.25 109.708 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -70.26 96.24 1.09 Allowed 'General case' 0 C--O 1.242 0.682 0 O-C-N 124.148 0.905 . . . . 54.44 110.17 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -66.16 117.66 8.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.572 -1.195 . . . . 65.31 110.089 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -131.06 145.71 52.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.619 0.768 . . . . 75.34 110.225 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -151.01 116.67 5.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.391 1.076 . . . . 54.13 108.316 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -144.32 82.2 10.83 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-O 121.282 0.563 . . . . 74.25 111.325 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.05 136.58 10.4 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.776 2.317 . . . . 74.23 111.771 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.7 m-20 -81.93 97.39 8.04 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.074 -1.084 . . . . 74.4 108.074 171.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.42 96.81 0.3 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.12 0.888 . . . . 70.1 111.871 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -129.18 129.03 44.56 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.822 0.849 . . . . 63.43 109.831 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.24 153.06 45.05 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.878 1.271 . . . . 72.22 108.862 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -121.05 146.38 46.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.134 0.574 . . . . 62.43 109.633 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -112.65 111.23 21.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.567 1.147 . . . . 42.24 108.974 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.25 138.01 58.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.804 0.841 . . . . 41.4 110.401 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.09 147.84 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.161 0.985 . . . . 75.44 110.986 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.04 175.6 12.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.734 0.814 . . . . 73.11 110.085 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.0 29.39 0.13 Allowed Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.725 -0.55 . . . . 65.25 111.725 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.7 mpt? -75.58 139.92 42.36 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.823 0.849 . . . . 73.33 110.393 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.51 142.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.186 0.994 . . . . 64.24 109.124 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.2 p -154.31 116.37 4.25 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.328 1.051 . . . . 43.25 108.265 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.46 169.09 3.59 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 C-N-CA 123.663 0.785 . . . . 72.52 111.068 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.06 144.13 16.05 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.889 -0.95 . . . . 74.23 110.735 171.63 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.47 155.35 40.78 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.711 2.274 . . . . 71.31 112.663 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.09 39.95 0.73 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.181 0.992 . . . . 53.44 111.389 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -64.94 -26.43 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 73.22 110.19 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.2 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.444 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 63.42 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 72.44 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.53 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' SD ' ' A' ' 32' ' ' MET . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 72.31 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.45 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -59.24 -31.55 69.17 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 65.14 111.036 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.36 -7.07 34.08 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.803 1.038 . . . . 63.01 113.803 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.3 p -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.894 0.378 . . . . 71.12 111.153 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.26 -46.17 0.34 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.848 -0.615 . . . . 74.11 111.687 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -74.81 89.89 2.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.0 0.52 . . . . 73.43 109.652 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -111.06 129.51 23.91 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.959 0.904 . . . . 61.23 110.285 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 32.0 Cg_endo -62.62 129.3 25.96 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.146 1.897 . . . . 75.21 111.604 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 59' ' ' LEU . 79.4 m-85 -60.91 146.58 46.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.734 0.814 . . . . 62.24 110.218 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.24 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.2 108.535 170.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.12 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.22 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.637 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.34 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.42 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.55 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.42 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.45 111.546 177.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 64.54 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 65.12 109.856 173.377 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 25.23 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 54.22 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.33 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.45 110.566 -175.382 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 52.54 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.433 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.31 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.4 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 62.3 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 70.23 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -90.82 3.44 54.43 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.21 111.524 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m 61.21 83.82 0.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.537 1.135 . . . . 61.1 111.836 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.13 -86.11 0.25 Allowed Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.431 -0.804 . . . . 21.11 111.75 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.44 76.03 1.65 Allowed 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.255 1.026 . . . . 73.51 108.775 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.84 64.4 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.199 -0.91 . . . . 73.22 110.123 -174.134 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.74 91.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 123.02 2.48 . . . . 62.42 112.408 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.58 118.38 19.18 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.409 -0.96 . . . . 72.34 108.409 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 C-N-CA 125.125 1.37 . . . . 71.55 109.317 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.637 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 108.837 -0.801 . . . . 75.11 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.78 114.62 0.08 OUTLIER Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.534 -0.757 . . . . 75.24 111.563 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -72.51 82.63 1.09 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.5 0.667 . . . . 75.5 109.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -81.79 139.3 34.87 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.409 -1.269 . . . . 72.44 110.021 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -149.33 111.37 4.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.833 -0.621 . . . . 64.14 110.451 -171.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.16 129.19 42.36 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.373 -0.603 . . . . 75.4 109.373 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -115.37 152.98 31.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.141 0.576 . . . . 63.34 109.984 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -132.3 98.15 4.31 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.645 -0.872 . . . . 75.32 108.645 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -79.76 158.44 26.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.902 0.481 . . . . 64.44 109.771 171.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -158.99 97.02 1.37 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.387 0.675 . . . . 71.55 110.011 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.2 tpt -161.96 98.08 1.2 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.988 0.915 . . . . 65.35 108.928 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.71 159.66 38.57 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 121.941 1.761 . . . . 61.32 111.709 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -131.9 126.32 33.86 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.024 -1.102 . . . . 70.52 108.024 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.02 97.47 0.11 Allowed Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.469 -0.653 . . . . 73.31 111.469 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.96 140.8 53.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.099 0.56 . . . . 62.3 110.559 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.28 176.03 9.04 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.603 0.761 . . . . 71.51 110.077 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -165.4 35.6 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.399 0.68 . . . . 73.34 110.213 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -58.07 108.36 0.59 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.83 0.452 . . . . 64.51 111.498 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -150.6 -174.99 4.93 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.908 0.883 . . . . 75.23 109.773 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.98 137.61 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.834 0.453 . . . . 70.32 111.285 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -92.2 -179.04 5.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.34 0.656 . . . . 70.25 110.32 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.81 53.98 0.3 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.592 -0.603 . . . . 55.25 111.592 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.09 114.66 13.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.65 0.78 . . . . 74.43 111.087 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -150.52 129.32 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 124.187 0.995 . . . . 65.41 109.862 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.3 m -148.28 113.7 5.61 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.784 -0.821 . . . . 70.32 108.784 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tt -160.67 133.97 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.854 0.862 . . . . 72.51 109.548 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 153.86 52.6 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-O 119.349 -0.695 . . . . 43.31 112.49 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG13 ' A' ' 30' ' ' VAL . 38.5 Cg_endo -64.44 171.91 7.38 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.59 2.193 . . . . 73.53 112.791 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -99.89 34.45 2.28 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.428 0.632 . . . . 72.33 110.388 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 28' ' ' PRO . 22.6 m -61.29 -27.11 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.209 1.004 . . . . 75.31 112.684 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 72.1 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 73.31 110.115 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.41 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 63.15 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 71.22 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 72.02 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m -64.11 -35.54 81.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 63.41 110.583 170.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -92.04 -6.78 50.44 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.188 0.595 . . . . 63.14 112.104 -172.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.9 p -88.98 21.55 3.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.837 0.455 . . . . 60.41 111.86 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.65 -137.16 2.27 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.505 0.098 . . . . 72.44 112.973 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -89.31 179.55 6.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 74.21 110.985 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -65.76 124.53 87.73 Favored Pre-proline 0 C--O 1.249 1.07 0 C-N-CA 123.344 0.658 . . . . 72.41 109.78 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.87 110.42 2.57 Favored 'Trans proline' 0 C--N 1.367 1.513 0 C-N-CA 122.181 1.921 . . . . 73.42 109.723 169.341 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 m-85 -49.93 127.94 17.48 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 124.146 0.904 . . . . 72.34 109.946 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.32 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.2 112.049 -174.044 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.3 t-20 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.31 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.6 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.11 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.04 109.698 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.35 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.3 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 44.33 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 54.2 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.03 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 62.02 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 70.31 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 60.4 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 64.12 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.33 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.21 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.24 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.31 111.89 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.03 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB3' ' HD2' ' A' ' 70' ' ' LYS . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.33 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.34 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.26 -13.53 40.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 74.5 111.417 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -85.23 122.45 29.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.808 0.843 . . . . 74.23 111.001 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.12 -46.28 92.9 Favored Glycine 0 C--N 1.354 1.561 0 O-C-N 123.446 0.466 . . . . 71.11 112.668 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.85 137.04 53.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.158 0.983 . . . . 75.34 109.074 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 64' ' ' LYS . 23.8 pttm -153.52 150.97 24.47 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 123.158 0.583 . . . . 73.42 110.293 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.39 111.26 1.8 Allowed 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 122.682 2.255 . . . . 74.2 111.708 165.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.41 117.49 18.94 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.391 -0.966 . . . . 75.44 108.391 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 O-C-N 124.242 0.964 . . . . 75.52 112.319 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtm . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.209 -0.293 . . . . 73.21 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.81 -75.14 0.28 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 110.925 -0.87 . . . . 40.1 110.925 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 t60 59.28 101.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.308 1.443 . . . . 71.13 111.735 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -145.11 125.18 13.62 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.32 0.648 . . . . 64.42 109.76 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -127.82 105.84 8.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.578 0.751 . . . . 74.42 109.09 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -110.48 121.82 46.23 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.73 -0.841 . . . . 64.32 108.73 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -157.9 110.32 2.37 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 124.564 1.146 . . . . 62.3 108.234 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -127.26 140.18 52.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.626 0.77 . . . . 75.21 109.219 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.08 108.24 4.0 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.731 0.644 . . . . 75.41 110.513 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -84.74 88.3 7.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.677 0.791 . . . . 74.23 109.138 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.78 97.36 1.72 Allowed Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.179 -1.045 . . . . 71.13 108.179 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.71 130.71 15.01 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.389 2.06 . . . . 61.35 110.885 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 -79.89 77.29 6.56 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.256 0.622 . . . . 75.43 109.921 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.37 74.17 2.26 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.682 -0.967 . . . . 74.32 110.682 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -85.59 98.38 10.62 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.196 0.598 . . . . 74.01 109.731 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.74 131.65 47.89 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.773 -0.649 . . . . 53.43 109.881 -175.248 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -113.83 144.95 42.15 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.346 1.059 . . . . 74.32 109.206 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.4 m -115.63 94.97 4.92 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.736 -1.209 . . . . 74.24 107.736 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -159.46 121.97 3.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.237 0.615 . . . . 61.0 109.452 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.2 m -116.06 -178.8 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.074 0.95 . . . . 55.32 110.091 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -113.16 160.65 18.01 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 74.13 110.42 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.31 73.68 2.56 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 111.802 -0.519 . . . . 61.34 111.802 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.1 mtt -93.62 164.88 12.99 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.057 0.943 . . . . 73.05 110.754 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.6 t 63.43 111.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.031 1.332 . . . . 73.43 112.196 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.4 m -58.84 135.06 57.41 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.984 0.914 . . . . 74.43 111.419 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 pt -81.74 130.21 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.243 0.617 . . . . 73.34 110.183 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 169.19 26.69 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 115.728 -0.669 . . . . 65.21 112.854 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HB2' HG12 ' A' ' 30' ' ' VAL . 59.1 Cg_endo -69.19 143.56 54.03 Favored 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.637 2.225 . . . . 52.53 113.022 -174.67 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -73.73 -4.96 37.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.098 0.959 . . . . 74.43 111.497 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 28' ' ' PRO . 11.7 p -56.79 -33.57 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.092 0.957 . . . . 64.01 111.61 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.45 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.23 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 71.01 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.42 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.15 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 62.32 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m -68.21 -21.73 64.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.34 112.386 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -146.44 134.41 21.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.994 0.518 . . . . 72.35 110.996 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 t -136.12 85.2 2.13 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.955 -1.128 . . . . 52.14 107.955 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.13 120.27 21.9 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.591 -1.186 . . . . 32.04 114.058 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -91.35 178.61 5.92 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.746 0.818 . . . . 74.05 110.731 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -107.36 153.84 40.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.175 0.99 . . . . 64.14 110.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -58.39 132.28 47.73 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.72 2.28 . . . . 74.15 111.801 172.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 -72.54 162.0 30.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.707 0.803 . . . . 74.24 110.598 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 72.11 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.54 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 64.11 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.1 109.256 170.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.52 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 45.41 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 70.42 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.42 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.04 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' HG23 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.34 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 71.01 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.13 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.13 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.1 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.11 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 71.33 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 74.32 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 51.54 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 70' ' ' LYS . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 73.4 110.463 169.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 71.15 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -78.35 -8.32 58.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 73.21 111.779 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -139.68 -170.46 2.93 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.375 -0.972 . . . . 60.13 108.375 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.53 -53.43 6.64 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 109.78 -1.328 . . . . 52.34 109.78 165.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -140.78 125.39 17.89 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 125.705 1.602 . . . . 73.35 107.019 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 64' ' ' LYS . 24.6 pttm -77.12 160.32 76.27 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 124.035 0.934 . . . . 74.2 111.992 -173.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.6 79.45 3.2 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.104 1.869 . . . . 74.31 112.201 167.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 91.7 t80 -78.14 -35.92 48.41 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.352 0.661 . . . . 62.11 109.764 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 124.091 0.956 . . . . 71.23 109.471 177.3 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.074 -0.713 . . . . 71.32 109.074 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.78 -113.33 0.45 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.623 -0.991 . . . . 52.2 110.623 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.3 m80 59.49 84.74 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.568 1.147 . . . . 74.11 111.94 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -134.03 91.98 2.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.048 0.939 . . . . 72.2 109.236 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -103.73 85.77 2.49 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.845 -0.798 . . . . 75.22 108.845 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -88.58 135.85 33.29 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.189 0.596 . . . . 71.45 109.63 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -94.37 143.44 26.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.074 0.95 . . . . 65.41 110.141 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -161.09 141.39 11.07 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.701 0.8 . . . . 74.43 109.13 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m 63.39 34.11 13.24 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.522 1.129 . . . . 64.34 111.076 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 85.1 t60 -79.63 -19.05 50.13 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.417 -0.81 . . . . 74.31 111.8 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.5 mtt -103.69 98.08 12.17 Favored Pre-proline 0 CA--C 1.557 1.216 0 C-N-CA 122.961 0.504 . . . . 71.3 110.438 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 62.4 Cg_endo -88.67 172.24 4.78 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.572 2.848 . . . . 73.14 112.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -125.55 179.86 4.95 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.687 -0.486 . . . . 65.2 109.687 171.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.75 62.63 0.28 Allowed Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.485 -1.046 . . . . 64.2 110.485 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.41 99.77 10.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.294 0.638 . . . . 63.5 110.108 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -113.73 161.41 17.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.916 0.886 . . . . 71.41 109.409 171.433 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -125.47 -178.97 4.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.473 0.709 . . . . 60.34 110.045 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.6 136.35 25.79 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.985 0.914 . . . . 74.11 109.891 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.16 143.21 51.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.071 0.549 . . . . 64.13 111.265 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.89 107.7 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 124.351 1.061 . . . . 74.4 108.245 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -66.22 130.61 43.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.899 0.48 . . . . 72.31 110.245 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.63 71.21 2.14 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.578 0.549 . . . . 41.41 112.023 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.5 mtt -75.41 101.94 4.97 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.782 0.833 . . . . 63.21 109.376 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.6 t -72.89 75.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.363 -0.977 . . . . 72.34 108.363 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -82.24 89.27 6.51 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.821 -1.082 . . . . 73.14 109.438 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tt -156.07 119.36 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 115.351 -0.841 . . . . 52.31 108.756 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -80.07 106.5 2.48 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.163 -1.575 . . . . 71.5 109.163 166.328 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -57.02 -29.42 82.83 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.203 2.602 . . . . 73.21 113.962 -165.743 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t30 -71.5 -16.11 62.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.098 0.559 . . . . 73.35 111.994 -173.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 27' ' ' GLY . 7.5 p -64.91 -30.65 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.549 0.34 . . . . 72.23 110.686 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.43 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 64.24 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' ASN . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 53.12 110.305 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 62.01 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 65.33 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.3 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -48.65 -42.83 35.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.34 113.059 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -94.46 -94.26 0.17 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.535 -0.757 . . . . 74.43 109.408 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p 41.53 40.6 1.39 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.601 1.161 . . . . 73.12 111.061 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 94.4 0.81 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-N 114.141 -1.391 . . . . 45.25 113.351 -169.036 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -68.47 -32.12 71.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.728 0.811 . . . . 71.15 109.985 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.36 141.1 22.52 Favored Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 108.374 -0.972 . . . . 72.45 108.374 167.546 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.95 154.41 74.1 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.294 1.996 . . . . 73.14 112.674 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' HD22 ' A' ' 59' ' ' LEU . 93.3 m-85 -84.29 11.02 9.03 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.72 -0.673 . . . . 62.42 110.907 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.14 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.03 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 63.35 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.44 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.13 110.638 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.04 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.11 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 42.35 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.23 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 71.54 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.43 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 63.41 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.44 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 64.51 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 65.53 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.05 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' NH1' HD11 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.42 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 52.51 111.945 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.413 HD11 HD23 ' A' ' 60' ' ' LEU . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.43 111.234 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.42 110.902 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 -73.58 -12.41 60.75 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.14 111.48 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.0 t -127.85 -178.56 4.55 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.816 0.846 . . . . 74.33 109.145 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.23 135.56 8.15 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 111.5 -0.64 . . . . 61.23 111.5 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 67.18 34.7 4.85 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.798 1.239 . . . . 72.14 112.027 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 27.3 mtpp -69.97 139.31 87.92 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 122.918 0.487 . . . . 73.32 110.51 169.706 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.98 85.7 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.274 2.649 . . . . 55.12 112.913 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -102.71 112.22 24.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.772 -0.825 . . . . 70.15 108.772 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HE3' ' HA ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.79 -0.819 . . . . 71.25 108.79 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.61 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.426 -0.583 . . . . 55.23 109.426 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.94 133.49 4.73 Favored Glycine 0 C--N 1.351 1.401 0 O-C-N 123.275 0.36 . . . . 35.24 112.206 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -144.05 133.96 23.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.35 0.66 . . . . 75.42 109.626 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -138.85 160.23 40.2 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.211 0.604 . . . . 74.1 110.42 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 55.5 p-80 -140.64 166.15 25.52 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.805 0.842 . . . . 55.11 109.6 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -89.07 171.39 9.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.461 -0.791 . . . . 73.15 111.275 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -141.55 132.65 26.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.942 1.297 . . . . 64.21 109.236 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -93.12 145.76 24.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.087 0.555 . . . . 73.22 110.717 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -139.22 132.63 30.13 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.343 0.657 . . . . 71.04 109.321 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -83.7 -178.17 6.93 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.639 0.775 . . . . 73.55 110.946 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -116.14 123.34 31.01 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 108.327 -0.99 . . . . 60.24 108.327 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.3 142.41 37.34 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.453 2.102 . . . . 71.13 112.258 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -75.33 143.43 42.89 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.281 0.632 . . . . 61.43 109.568 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.67 22.68 2.17 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 111.46 -0.656 . . . . 52.01 111.46 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -82.56 85.37 6.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.145 0.578 . . . . 63.13 109.627 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD12 ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.34 160.96 0.77 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.397 1.879 . . . . 74.15 106.981 176.541 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER 63.87 35.56 10.91 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.972 0.909 . . . . 44.22 110.87 177.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -144.25 92.59 2.33 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.305 -0.628 . . . . 43.13 109.305 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -162.46 154.69 18.98 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 72.44 109.13 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.67 149.84 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.539 0.736 . . . . 73.25 111.453 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.71 101.31 13.92 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.261 -0.644 . . . . 63.25 109.261 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.5 70.43 3.15 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.838 -0.619 . . . . 64.23 112.06 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' MET . . . . . 0.519 ' HG2' ' H ' ' A' ' 24' ' ' VAL . 16.4 ttt -164.08 179.35 6.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.464 1.106 . . . . 72.51 108.639 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' H ' ' HG2' ' A' ' 23' ' ' MET . 24.3 t 69.72 79.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.798 1.239 . . . . 74.32 110.463 173.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -157.63 94.48 1.36 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.835 -1.075 . . . . 54.41 108.807 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 pt -83.77 170.64 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.647 0.779 . . . . 74.23 110.737 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.52 169.39 14.53 Favored Glycine 0 C--O 1.242 0.626 0 CA-C-O 119.421 -0.655 . . . . 72.31 112.426 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.82 151.3 57.0 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 123.002 2.468 . . . . 54.42 111.6 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.21 43.58 1.14 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.204 0.602 . . . . 74.11 110.637 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m -60.85 -27.01 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.205 1.002 . . . . 74.31 112.298 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 72.15 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 52.22 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 70.53 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 62.31 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 55.21 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 74.4 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t -68.14 -31.64 71.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.42 110.648 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.75 74.88 8.71 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.248 -0.649 . . . . 72.51 109.248 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 m -88.83 -54.8 3.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.541 0.736 . . . . 55.14 109.823 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.34 -127.76 3.06 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 109.574 -1.411 . . . . 73.3 109.574 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.0 170.43 16.7 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.247 0.546 . . . . 73.55 110.212 172.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -101.64 133.06 21.03 Favored Pre-proline 0 C--O 1.242 0.694 0 C-N-CA 123.87 0.868 . . . . 72.22 108.676 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -71.21 157.88 56.12 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.222 1.948 . . . . 75.35 111.486 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -79.37 175.96 10.12 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.864 -0.607 . . . . 72.1 110.878 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 74.44 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.12 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.55 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 73.52 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.12 113.494 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.55 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 65.14 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.44 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 64.44 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 73.34 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.2 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 63.23 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 73.33 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 61.24 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.43 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.34 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.44 111.297 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 73.0 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 62.24 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 70.51 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 -62.33 -31.23 71.82 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 72.24 112.883 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.4 p -168.13 161.32 12.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.847 0.459 . . . . 40.45 110.896 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.67 -152.9 14.33 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.694 -0.503 . . . . 54.43 112.546 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.94 30.56 20.07 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.311 1.045 . . . . 73.23 110.567 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 87.0 mttt -128.3 143.1 46.87 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 123.639 0.776 . . . . 73.43 110.786 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -59.51 142.66 99.27 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 123.287 2.658 . . . . 60.21 111.484 172.689 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.18 -74.43 0.44 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.343 0.657 . . . . 74.22 109.494 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 CA--C 1.562 1.422 0 C-N-CA 123.985 0.914 . . . . 70.11 109.252 -176.472 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 109.387 -0.598 . . . . 53.43 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.07 93.54 0.1 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 109.964 -1.254 . . . . 72.32 109.964 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -84.72 137.51 33.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.992 0.517 . . . . 64.54 110.782 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -138.74 95.9 3.05 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.155 -1.054 . . . . 74.42 108.155 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -154.53 113.12 3.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.582 . . . . 73.34 110.019 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -156.86 129.42 7.56 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.114 0.966 . . . . 74.21 108.749 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -69.47 88.15 0.48 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.573 0.749 . . . . 64.41 110.601 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.59 -1.263 . . . . 74.45 107.59 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -157.05 137.82 13.29 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.948 0.404 . . . . 74.42 110.2 -177.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -77.98 93.17 4.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.704 0.802 . . . . 61.33 110.102 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.4 mtp -116.01 88.36 21.6 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.84 0.856 . . . . 74.4 109.398 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -85.68 178.46 4.35 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.739 2.293 . . . . 71.13 112.362 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -166.05 98.61 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.539 -0.911 . . . . 54.34 108.539 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.1 66.82 0.33 Allowed Glycine 0 C--N 1.347 1.166 0 N-CA-C 111.973 -0.451 . . . . 72.51 111.973 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.14 134.46 38.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.047 0.539 . . . . 54.14 110.173 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.2 pt? -120.69 164.42 16.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.938 . . . . 75.13 109.871 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.93 131.31 22.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.374 0.67 . . . . 74.32 110.159 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 m -138.54 136.57 36.21 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 64.14 110.108 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -161.23 174.73 13.19 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.912 0.885 . . . . 71.31 109.557 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.17 153.04 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.537 0.735 . . . . 62.0 109.758 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -133.45 144.92 49.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.674 0.79 . . . . 73.25 110.134 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.85 164.29 51.64 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 123.823 0.702 . . . . 74.25 112.287 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.5 mtm -130.49 175.73 8.74 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.647 0.779 . . . . 74.52 109.49 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.67 142.53 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.089 0.556 . . . . 73.25 109.55 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -143.48 119.0 10.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.52 -0.919 . . . . 62.24 108.52 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.03 160.02 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.163 0.585 . . . . 70.52 111.916 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.08 164.79 26.78 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 119.383 -0.676 . . . . 63.25 112.359 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.18 138.52 14.3 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.134 2.556 . . . . 62.11 112.869 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -77.95 80.46 4.39 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.115 0.96 . . . . 75.12 109.788 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.62 -24.38 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 114.969 -1.014 . . . . 74.31 111.307 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 70.22 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 62.14 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 54.14 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 65.12 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 64.5 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t -61.52 -19.67 62.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.24 112.081 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -125.22 4.47 7.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.498 0.719 . . . . 74.41 111.228 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -70.99 -21.15 62.34 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.57 0.581 . . . . 71.43 112.57 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.73 -110.71 0.41 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.192 -0.763 . . . . 72.24 111.192 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -73.07 126.5 30.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.748 0.819 . . . . 74.43 111.032 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -76.83 124.14 87.55 Favored Pre-proline 0 CA--C 1.554 1.131 0 CA-C-N 115.745 -0.661 . . . . 72.33 109.228 168.513 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.74 171.33 12.29 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.794 1.663 . . . . 62.12 111.592 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 59' ' ' LEU . 82.6 m-85 -76.76 132.36 39.23 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 72.43 109.796 -177.056 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.32 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 74.25 108.151 165.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 45.4 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.01 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.01 108.38 169.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 63.12 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 61.34 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.3 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.42 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 55' ' ' GLN . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 63.53 110.173 171.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 54' ' ' THR . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.15 108.79 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 65.35 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.13 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.02 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.43 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.15 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.1 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.02 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 73.13 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.32 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 -66.44 -29.69 69.88 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.22 111.025 176.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -88.75 3.63 50.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.372 0.669 . . . . 74.01 110.969 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.68 -140.64 15.84 Favored Glycine 0 C--N 1.361 1.925 0 CA-C-O 120.072 -0.293 . . . . 53.24 113.554 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -86.18 96.42 9.91 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.548 -0.908 . . . . 63.53 108.548 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 169.13 6.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.237 1.015 . . . . 63.2 108.357 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -42.89 96.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.075 2.517 . . . . 62.15 113.949 171.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -127.77 -45.46 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.734 1.614 . . . . 72.4 108.279 -174.359 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.248 1.009 0 C-N-CA 124.709 1.203 . . . . 73.55 108.899 -178.144 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 108.91 -0.774 . . . . 51.01 108.91 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.56 90.37 0.18 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.422 0.451 . . . . 52.1 112.055 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -118.42 49.48 1.28 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.056 0.931 . . . . 74.41 108.83 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -82.38 93.43 7.19 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.695 -0.854 . . . . 62.02 108.695 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 53.5 p-80 -110.35 15.02 22.51 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.663 0.785 . . . . 75.32 111.088 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.02 139.52 9.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.352 1.061 . . . . 72.12 109.026 169.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -129.35 95.99 4.17 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.276 1.03 . . . . 75.34 109.059 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 59.08 87.22 0.08 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.568 1.147 . . . . 73.42 110.4 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -72.47 165.44 24.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.747 0.819 . . . . 75.44 111.547 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -139.44 164.22 30.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.236 1.015 . . . . 74.21 109.633 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.5 mtt -119.11 155.07 53.61 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.693 1.197 . . . . 74.12 109.085 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.62 170.89 5.07 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.056 2.504 . . . . 74.45 113.089 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -153.69 178.09 10.25 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.756 0.822 . . . . 71.44 110.79 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.95 106.34 1.33 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.459 -1.057 . . . . 51.4 110.459 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.86 147.26 42.2 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.893 0.877 . . . . 73.13 110.579 -178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -129.4 155.66 45.33 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.405 1.082 . . . . 64.21 109.432 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -127.87 134.53 49.4 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.194 -0.669 . . . . 55.12 109.194 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.89 101.08 11.82 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.942 -0.762 . . . . 73.11 108.942 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -108.9 117.8 35.15 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.699 -0.852 . . . . 63.45 108.699 171.661 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -90.18 145.34 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.691 0.796 . . . . 74.13 111.04 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -89.9 141.37 28.71 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.626 0.77 . . . . 75.43 109.276 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.81 144.51 15.86 Favored Glycine 0 C--N 1.339 0.71 0 O-C-N 123.462 0.477 . . . . 64.53 112.428 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 ttt -148.55 118.84 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.099 -0.704 . . . . 74.04 109.099 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.03 173.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.398 0.618 . . . . 71.1 109.935 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -146.25 165.89 27.89 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.039 0.936 . . . . 70.05 109.262 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -125.38 158.85 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.401 0.68 . . . . 52.45 109.189 172.122 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.08 95.08 0.16 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.131 -0.816 . . . . 42.34 112.134 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.59 155.79 44.9 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.823 2.349 . . . . 71.35 113.479 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.44 73.18 3.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.01 0.924 . . . . 65.3 108.919 172.051 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.16 -29.99 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.211 0.604 . . . . 74.42 112.363 -171.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 74.11 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 73.41 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.24 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.21 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.42 111.064 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 72.25 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -66.27 -22.81 66.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 71.3 111.669 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -73.53 -70.34 0.38 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.373 -0.973 . . . . 72.55 108.373 164.598 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.8 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 126.005 1.722 . . . . 72.34 108.343 174.648 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 35' ' ' LYS . . . 97.9 20.41 21.41 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.111 -0.95 . . . . 73.1 112.647 -175.618 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -104.39 157.05 17.42 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.496 0.718 . . . . 74.13 110.941 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -61.31 133.79 93.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.848 0.859 . . . . 73.51 111.297 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.51 117.32 5.06 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 122.498 2.132 . . . . 51.21 111.326 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.2 m-85 -75.15 93.69 2.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.696 0.798 . . . . 74.12 110.977 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 71.11 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 64.32 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.24 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.42 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.53 110.205 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.13 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.12 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 72.35 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.01 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 72.01 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.41 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.53 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 50.23 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 51.22 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.21 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.2 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 64.32 110.835 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.53 110.969 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 63.45 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 60.4 110.992 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 51.54 112.506 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 -56.35 -30.02 62.11 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.43 111.353 173.337 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m 68.99 174.45 0.29 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.362 1.065 . . . . 74.55 111.438 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.03 -60.4 4.8 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 111.559 -0.616 . . . . 65.34 111.559 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' A' ' 70' ' ' LYS . 15.4 tt0 -84.59 -170.43 3.11 Favored 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 123.484 0.714 . . . . 70.43 109.457 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER 70.23 132.18 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 C-N-CA 125.197 1.399 . . . . 73.43 111.391 -174.713 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.81 122.92 10.9 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.493 2.129 . . . . 74.33 111.827 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.17 -33.49 75.88 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.803 -0.635 . . . . 63.11 110.046 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.268 -0.878 . . . . 63.01 109.017 173.182 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.076 -0.713 . . . . 71.42 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.15 21.18 0.57 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.44 -0.8 . . . . 52.43 112.028 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -75.3 84.85 2.46 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.048 -0.723 . . . . 73.11 109.048 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -111.2 108.2 17.78 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.012 -0.995 . . . . 65.51 109.728 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -88.54 124.77 34.35 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 109.669 -0.493 . . . . 74.45 109.669 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -144.3 105.09 4.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.328 0.651 . . . . 61.44 109.279 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -165.71 128.25 2.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.356 -1.349 . . . . 65.44 107.356 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -149.4 81.39 1.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.923 -0.769 . . . . 75.43 108.923 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t -81.26 104.83 12.0 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 53.03 111.072 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -121.23 76.78 1.26 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.191 -1.411 . . . . 64.41 107.191 170.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.0 mtp -93.45 123.09 61.34 Favored Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 115.262 -0.881 . . . . 73.44 110.838 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.19 114.6 4.03 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.497 2.132 . . . . 62.14 111.465 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.06 146.72 34.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.367 0.667 . . . . 73.54 110.974 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.16 154.36 28.44 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.833 0.708 . . . . 75.12 113.045 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -133.95 114.42 13.25 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.788 -1.19 . . . . 74.32 107.788 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -43.57 75.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.748 0.819 . . . . 74.24 112.258 -167.22 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -142.39 172.44 12.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.101 0.56 . . . . 73.35 111.399 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -139.47 129.02 24.38 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 74.44 109.146 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.12 129.4 39.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.082 0.953 . . . . 70.11 111.306 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.49 140.15 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.929 0.492 . . . . 62.32 110.801 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -131.07 101.96 5.82 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.586 -0.894 . . . . 62.21 108.586 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.46 142.91 8.28 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 116.144 -0.48 . . . . 62.14 112.174 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.67 112.35 7.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.307 1.043 . . . . 62.45 108.789 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.48 136.0 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-O 121.285 0.564 . . . . 73.2 110.653 -178.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.5 p -132.5 114.08 13.86 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.188 0.995 . . . . 63.22 108.388 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 pt -87.47 176.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.841 0.456 . . . . 63.12 110.61 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.61 1.33 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-O 118.21 -1.328 . . . . 64.15 110.487 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.25 172.11 0.71 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.175 2.584 . . . . 71.43 113.609 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.9 m-20 -81.04 25.21 0.47 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.461 -0.79 . . . . 65.3 111.659 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.93 -38.89 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.19 0.996 . . . . 75.22 112.49 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.14 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 62.42 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.22 110.506 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 64.35 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 74.45 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t -76.4 -31.67 58.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.43 110.173 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -77.3 -34.96 55.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.637 0.775 . . . . 74.24 111.022 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 p -85.32 145.0 27.73 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 109.219 -0.66 . . . . 61.14 109.219 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.84 105.35 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-O 119.683 -0.51 . . . . 64.45 112.256 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.84 -40.83 96.66 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 64.44 110.469 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -96.67 98.25 4.23 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 106.276 -1.75 . . . . 75.0 106.276 162.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -89.13 112.75 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.455 2.103 . . . . 71.2 111.897 -170.648 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.514 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 -70.96 91.31 0.86 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.645 0.778 . . . . 71.4 109.759 -177.555 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.13 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.53 109.031 166.028 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 71.52 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 52.31 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.32 110.486 164.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.32 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 62.41 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 63.14 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.12 109.002 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.41 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 53.41 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 62.4 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.12 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 62.51 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.51 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.43 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.22 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.41 110.947 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.12 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.44 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.53 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -87.22 -21.08 26.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.11 111.06 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -80.33 103.44 10.2 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 123.511 0.724 . . . . 74.53 109.82 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.31 -117.14 8.13 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 116.073 -0.512 . . . . 63.31 112.374 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.32 90.77 2.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.43 0.692 . . . . 74.25 109.854 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.74 156.98 37.07 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 108.308 -0.997 . . . . 72.24 108.308 168.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.64 171.27 12.26 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.34 2.027 . . . . 75.42 112.821 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.3 t80 64.29 79.72 0.25 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.226 1.01 . . . . 74.2 109.326 -170.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 CA--C 1.56 1.357 0 CA-C-N 114.976 -1.011 . . . . 64.14 110.893 -178.661 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.285 -0.265 . . . . 63.01 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.27 -176.31 40.23 Favored Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.942 -0.572 . . . . 55.23 112.011 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.77 131.02 12.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.071 0.948 . . . . 74.43 109.215 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -156.4 98.75 1.86 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.864 0.84 . . . . 73.1 110.323 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -130.18 38.28 3.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.353 1.061 . . . . 71.41 108.335 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -64.3 93.41 0.09 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 71.51 113.199 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -168.87 144.49 3.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.113 1.365 . . . . 65.13 107.732 168.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -115.65 165.39 13.09 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.113 0.565 . . . . 73.44 111.592 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 t -137.46 97.05 3.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.459 0.704 . . . . 73.25 109.191 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -138.38 112.01 8.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.132 -1.062 . . . . 71.2 108.132 172.235 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.08 105.67 6.35 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.721 0.808 . . . . 74.13 109.577 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.7 127.91 3.79 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 122.726 2.284 . . . . 70.2 110.925 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.28 155.8 11.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.121 0.568 . . . . 60.21 111.509 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.18 173.89 41.71 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.429 -1.069 . . . . 23.34 110.429 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.98 107.79 8.92 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.179 -0.674 . . . . 74.4 109.179 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.63 76.76 1.0 Allowed 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 121.95 0.881 . . . . 73.33 110.235 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.08 102.93 6.73 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.175 -0.92 . . . . 64.22 110.359 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.04 135.38 50.75 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.577 0.751 . . . . 65.22 111.024 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -74.85 141.4 44.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.261 0.624 . . . . 74.44 111.724 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.2 137.65 46.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 108.798 -0.816 . . . . 53.12 108.798 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.0 t -143.24 149.61 38.15 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.571 0.748 . . . . 63.04 110.222 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.25 125.83 8.67 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.195 -0.762 . . . . 70.42 111.195 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ptm -80.03 144.05 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.707 0.754 . . . . 61.24 110.763 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.92 161.59 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 109.674 -0.491 . . . . 71.01 109.674 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.1 t -149.72 134.85 18.06 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.779 0.431 . . . . 70.04 110.277 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -113.91 150.96 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.895 -1.15 . . . . 72.44 107.895 172.355 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.73 -176.53 30.02 Favored Glycine 0 CA--C 1.537 1.414 0 N-CA-C 114.058 0.383 . . . . 52.33 114.058 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -75.02 167.12 27.72 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 123.241 2.627 . . . . 75.22 112.377 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -84.0 34.3 0.5 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.012 0.525 . . . . 72.11 111.714 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 31' ' ' LEU . 12.2 m -61.0 -31.25 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 123.479 0.712 . . . . 72.03 112.722 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.35 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 73.02 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.12 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.1 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.34 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t -68.45 -15.04 63.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.12 110.7 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.38 -177.79 4.94 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.734 0.814 . . . . 75.43 110.123 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m 67.0 75.05 0.32 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.308 1.043 . . . . 75.41 109.456 -170.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.51 -14.99 65.5 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 114.973 -1.012 . . . . 52.54 113.336 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -72.06 73.04 0.89 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.344 1.058 . . . . 64.41 110.216 173.052 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -112.02 121.05 40.5 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 108.118 -1.067 . . . . 74.14 108.118 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.96 97.96 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.909 1.739 . . . . 61.51 110.185 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 -66.71 79.4 0.11 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.116 -0.947 . . . . 74.04 111.585 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.33 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' CYS . . . . . 0.816 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.35 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.13 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.12 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.22 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.44 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.43 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.01 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.21 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 51.23 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.53 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 70.13 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.52 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 71.34 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.22 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.43 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.02 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.21 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.54 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 72.23 110.743 174.504 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 54.01 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 -60.27 -29.29 68.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.21 111.363 171.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 70' ' ' LYS . 29.6 t -127.46 163.56 23.83 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.986 0.914 . . . . 73.45 108.701 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.14 -34.32 85.92 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 112.058 -0.417 . . . . 74.2 112.058 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.31 141.92 24.45 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.63 1.172 . . . . 54.41 108.144 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.772 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 56.8 mtpt -131.39 147.17 65.09 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.665 0.786 . . . . 64.12 109.402 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -56.1 113.64 1.53 Allowed 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.127 2.551 . . . . 45.01 112.821 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -73.16 106.17 4.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.137 -0.69 . . . . 73.44 109.137 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.843 1.257 . . . . 75.14 111.329 178.856 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . 0.816 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.629 -0.508 . . . . 65.31 109.629 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.58 -112.96 0.91 Allowed Glycine 0 C--N 1.343 0.917 0 N-CA-C 110.426 -1.07 . . . . 65.11 110.426 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 m80 55.95 80.92 0.13 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.805 1.242 . . . . 74.12 111.297 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -116.77 -45.23 2.79 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.759 0.823 . . . . 73.54 109.991 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 m80 65.39 166.53 0.18 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.054 1.341 . . . . 75.11 112.185 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -84.44 -43.36 14.71 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.143 -0.48 . . . . 70.45 109.941 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 59.69 78.27 0.28 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.533 1.133 . . . . 70.4 110.49 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -113.89 125.79 54.45 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.629 -0.714 . . . . 72.25 109.974 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -121.36 -59.29 1.72 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.007 0.923 . . . . 51.03 109.288 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.8 t60 60.15 85.5 0.11 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.811 1.244 . . . . 71.54 110.208 -171.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -101.56 95.02 4.7 Favored Pre-proline 0 CA--C 1.551 1.016 0 N-CA-C 108.626 -0.879 . . . . 62.0 108.626 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -87.52 134.37 3.37 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.025 2.483 . . . . 73.1 112.853 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -77.83 152.84 33.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.105 0.562 . . . . 74.24 110.832 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.75 109.53 1.25 Allowed Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.81 -0.439 . . . . 72.12 112.707 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -110.08 67.11 0.64 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.784 0.802 . . . . 52.34 109.682 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.3 118.29 29.7 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.741 -0.663 . . . . 72.43 109.979 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -158.5 125.22 4.78 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.781 1.232 . . . . 74.4 108.532 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -158.51 150.6 21.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.042 0.937 . . . . 53.32 109.013 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.65 141.77 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.648 1.179 . . . . 74.13 111.777 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.26 -25.67 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.469 1.108 . . . . 51.23 111.527 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t 65.25 34.47 8.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.615 1.166 . . . . 63.01 110.349 -174.11 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.27 36.45 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 114.48 -1.237 . . . . 64.12 110.641 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.5 ttm -166.36 -57.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.217 0.607 . . . . 65.13 109.863 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t 56.19 95.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.437 1.495 . . . . 62.53 111.455 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.0 p -161.13 177.31 10.4 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.458 -1.246 . . . . 33.42 108.839 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt 64.22 94.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.825 1.25 . . . . 51.11 110.451 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.42 156.79 43.53 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 119.294 -0.725 . . . . 71.53 111.313 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.86 168.66 24.24 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.406 2.071 . . . . 41.44 111.598 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -86.07 26.77 0.97 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.557 0.743 . . . . 74.11 110.562 -174.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.5 m -72.31 -28.42 28.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 124.392 1.077 . . . . 63.04 112.041 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.11 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 62.45 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.21 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 72.44 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 65.41 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 74.31 111.222 -174.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -85.27 -42.15 14.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.31 111.079 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -76.55 -34.01 58.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.065 -0.516 . . . . 73.43 111.236 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.6 p 52.67 -75.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 126.678 1.991 . . . . 74.31 112.493 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.18 5.22 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.396 -1.081 . . . . 61.21 110.396 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -96.36 124.84 40.5 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.499 -0.556 . . . . 64.42 109.499 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.59 155.82 27.02 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.075 0.95 . . . . 62.33 110.631 170.338 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.97 11.7 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.888 2.392 . . . . 61.14 113.03 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 63.54 37.83 10.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.334 1.454 . . . . 72.53 109.826 175.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' HIS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 61.01 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.11 109.46 173.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.51 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.22 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.32 109.3 168.654 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 61.31 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 63.41 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 51.4 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.42 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.21 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 52.42 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.31 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.04 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.02 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.11 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.32 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 64.04 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 73.24 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.23 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.52 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -74.14 -24.75 59.47 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.22 111.451 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 m 67.17 21.08 10.13 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.567 1.147 . . . . 51.42 113.095 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.81 -67.37 2.08 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 123.522 0.514 . . . . 64.25 112.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.64 96.9 3.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.213 1.005 . . . . 75.43 109.015 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -130.52 146.18 60.68 Favored Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 109.077 -0.712 . . . . 53.35 109.077 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.47 -15.5 49.97 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.915 2.41 . . . . 71.14 115.389 -176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.24 91.5 6.78 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.364 0.602 . . . . 72.31 109.616 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-N 114.59 -1.186 . . . . 72.21 108.74 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 N--CA 1.474 0.732 0 CA-C-O 120.507 0.194 . . . . 72.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 71.439999999999998 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 72.430000000000007 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 64.340000000000003 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 64.140000000000001 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 70.450000000000003 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.420000000000002 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m . . . . . 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.340000000000003 111.105 176.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.47 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.2 m-85 . . . . . 0 CA--C 1.542 0.654 0 CA-C-O 121.306 0.574 . . . . 71.209999999999994 110.531 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.010000000000005 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' HB3' ' HB2' ' A' ' 49' ' ' CYS . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.019999999999996 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 60.009999999999998 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' O ' ' SG ' ' A' ' 49' ' ' CYS . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 61.310000000000002 107.513 173.15 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.517 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 55.310000000000002 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.409999999999997 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.530000000000001 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.129999999999995 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.209999999999994 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.430000000000007 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.299999999999997 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 52.439999999999998 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 52.130000000000003 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 60.119999999999997 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 60.100000000000001 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 74.239999999999995 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.439999999999998 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.020000000000003 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 64.030000000000001 109.454 179.104 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.510000000000005 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 10.0 m-70 . . . . . 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 61.409999999999997 112.189 174.303 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p . . . . . 0 CA--C 1.545 0.784 0 N-CA-C 110.218 -0.289 . . . . 73.109999999999999 110.218 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 62.109999999999999 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.200000000000003 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 71.129999999999995 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.349999999999994 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 62.310000000000002 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.140000000000001 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 109.927 173.877 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 59' ' ' LEU . 66.0 m-85 . . . . . 0 CA--C 1.542 0.653 0 CA-C-O 121.377 0.608 . . . . 63.450000000000003 109.971 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 54.43 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.784 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 54.240000000000002 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.420000000000002 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 71.319999999999993 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.784 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.409999999999997 111.869 -178.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.420000000000002 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.509999999999998 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.430000000000007 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.109999999999999 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.450000000000003 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 52.329999999999998 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 63.420000000000002 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.119999999999997 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.349999999999994 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.219999999999999 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 62.310000000000002 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.319999999999993 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 62.140000000000001 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.517 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.049999999999997 111.052 174.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 54.509999999999998 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 . . . . . 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.409999999999997 110.484 175.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m . . . . . 0 N--CA 1.477 0.895 0 N-CA-C 112.214 0.45 . . . . 72.439999999999998 112.214 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.430000000000007 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 63.350000000000001 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 52.310000000000002 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.430000000000007 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 71.120000000000005 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t . . . . . 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.32 111.012 177.729 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 . . . . . 0 CA--C 1.541 0.602 0 CA-C-O 121.347 0.594 . . . . 72.25 109.619 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 65.120000000000005 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.129999999999995 107.192 166.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 53.420000000000002 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 71.209999999999994 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.349999999999994 110.144 172.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.329999999999998 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 73.349999999999994 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.340000000000003 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 64.040000000000006 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.230000000000004 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.420000000000002 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 72.319999999999993 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 72.329999999999998 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.109999999999999 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 64.030000000000001 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 53.310000000000002 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 65.040000000000006 110.22 175.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.019999999999996 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 . . . . . 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 73.409999999999997 111.706 175.48 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.1 p . . . . . 0 N--CA 1.478 0.954 0 N-CA-C 111.624 0.231 . . . . 72.230000000000004 111.624 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.219999999999999 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.430000000000007 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 70.0 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.310000000000002 111.739 179.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 73.439999999999998 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 72.0 110.696 175.646 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' A' ' 59' ' ' LEU . 61.1 m-85 . . . . . 0 CA--C 1.54 0.582 0 N-CA-C 109.537 -0.542 . . . . 63.409999999999997 109.537 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 52.329999999999998 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 63.25 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.109999999999999 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 73.540000000000006 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.775 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.100000000000001 110.555 174.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 60.219999999999999 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.420000000000002 111.485 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 53.0 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.200000000000003 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.498 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.409999999999997 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.120000000000005 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.530000000000001 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 51.039999999999999 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.230000000000004 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 64.310000000000002 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.310000000000002 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.53 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 39.8 t60 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.120000000000005 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 65.450000000000003 111.086 -175.586 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 71.5 110.686 177.45 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.510000000000005 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 . . . . . 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.209999999999994 110.822 171.452 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.554 1.107 0 CA-C-O 120.301 0.096 . . . . 73.299999999999997 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.540000000000006 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.209999999999994 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 70.219999999999999 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 74.319999999999993 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.510000000000005 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 71.099999999999994 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m . . . . . 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 54.299999999999997 110.774 173.315 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 . . . . . 0 N--CA 1.467 0.419 0 N-CA-C 109.682 -0.488 . . . . 71.409999999999997 109.682 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 54.140000000000001 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.519999999999996 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.040000000000006 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 71.439999999999998 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.329999999999998 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 61.210000000000001 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.420000000000002 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.239999999999995 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.319999999999993 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 73.109999999999999 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.349999999999994 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' LEU . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.239999999999995 111.429 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 72.319999999999993 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.540000000000006 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.549999999999997 111.346 -176.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 73.109999999999999 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.140000000000001 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 62.229999999999997 112.247 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 71.230000000000004 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.120000000000005 112.251 177.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 72.230000000000004 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 . . . . . 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.120000000000005 112.199 -177.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m . . . . . 0 CA--C 1.552 1.034 0 CA-C-O 120.779 0.323 . . . . 54.240000000000002 111.231 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 72.230000000000004 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 63.43 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.019999999999996 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 74.549999999999997 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.219999999999999 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.230000000000004 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m . . . . . 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 65.239999999999995 111.288 178.68 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.618 ' HB3' HD22 ' A' ' 59' ' ' LEU . 58.5 m-85 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 121.032 0.444 . . . . 63.240000000000002 111.108 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.140000000000001 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.219999999999999 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 73.030000000000001 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 64.019999999999996 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.417 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.119999999999997 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 63.420000000000002 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.219999999999999 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 50.0 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.209999999999994 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 65.129999999999995 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.349999999999994 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.219999999999999 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.019999999999996 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.618 HD22 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.439999999999998 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.329999999999998 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.030000000000001 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 59' ' ' LEU . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 54.109999999999999 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.499 173.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.409999999999997 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 . . . . . 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.530000000000001 110.603 168.496 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 121.246 0.546 . . . . 62.009999999999998 110.325 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.409999999999997 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 51.340000000000003 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.510000000000005 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.409999999999997 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.519999999999996 111.373 179.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.530000000000001 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.450000000000003 111.752 -173.804 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.58 ' HA ' HD22 ' A' ' 59' ' ' LEU . 94.1 m-85 . . . . . 0 CA--C 1.55 0.947 0 N-CA-C 111.797 0.295 . . . . 62.450000000000003 111.797 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 53.310000000000002 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.349999999999994 110.26 175.603 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.340000000000003 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 63.439999999999998 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.64 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 44.0 112.543 -177.381 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 62.240000000000002 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.209999999999994 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 65.209999999999994 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.299999999999997 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 45.130000000000003 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.129999999999995 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 74.450000000000003 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 51.240000000000002 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 70.209999999999994 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.099999999999994 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 71.5 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 73.219999999999999 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 71.209999999999994 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.140000000000001 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 64.219999999999999 109.96 174.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.099999999999994 110.864 172.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 . . . . . 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 52.039999999999999 110.323 174.391 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 N--CA 1.48 1.057 0 N-CA-C 112.429 0.529 . . . . 73.019999999999996 112.429 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 54.229999999999997 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 73.409999999999997 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.219999999999999 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 61.200000000000003 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 72.409999999999997 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.420000000000002 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t . . . . . 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.25 110.435 175.653 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 . . . . . 0 C--O 1.214 -0.805 0 N-CA-C 109.802 -0.444 . . . . 62.210000000000001 109.802 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.200000000000003 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.727 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.109999999999999 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.109999999999999 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.430000000000007 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.727 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.140000000000001 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 44.240000000000002 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.420000000000002 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 65.109999999999999 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 55' ' ' GLN . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 73.349999999999994 109.672 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 54' ' ' THR . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 72.409999999999997 109.455 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 65.219999999999999 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.420000000000002 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.230000000000004 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.519999999999996 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 62.100000000000001 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 64.109999999999999 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.514 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 64.219999999999999 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 61.009999999999998 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.435 ' CE1' ' SG ' ' A' ' 49' ' ' CYS . 23.8 m-70 . . . . . 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.109999999999999 111.084 173.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 N--CA 1.482 1.148 0 N-CA-C 112.024 0.379 . . . . 64.430000000000007 112.024 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.420000000000002 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.310000000000002 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.420000000000002 110.452 -178.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 70.530000000000001 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.230000000000004 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.200000000000003 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.409999999999997 111.661 179.956 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 . . . . . 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.019999999999996 109.701 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.442 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.019999999999996 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 71.400000000000006 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.439999999999998 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.545 ' HG ' ' CE1' ' A' ' 62' ' ' HIS . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 111.945 -177.659 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 43.530000000000001 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 52.140000000000001 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 51.32 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.109999999999999 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 71.099999999999994 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.239999999999995 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 70.420000000000002 110.153 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.439999999999998 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 64.439999999999998 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.030000000000001 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 62.450000000000003 111.085 -172.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.483 ' HG2' ' O ' ' A' ' 57' ' ' GLY . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.450000000000003 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.545 ' CE1' ' HG ' ' A' ' 49' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 72.530000000000001 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.120000000000005 111.624 179.384 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 70.030000000000001 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 . . . . . 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 N--CA 1.481 1.092 0 N-CA-C 111.48 0.178 . . . . 74.239999999999995 111.48 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.439999999999998 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' HD12 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 55.409999999999997 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.510000000000005 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.229999999999997 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 50.43 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.519999999999996 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.340000000000003 111.686 -179.247 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 . . . . . 0 N--CA 1.476 0.865 0 CA-C-O 122.08 0.943 . . . . 72.340000000000003 110.915 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 73.319999999999993 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.350000000000001 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.219999999999999 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.439999999999998 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 51.340000000000003 110.989 176.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.519999999999996 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.340000000000003 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 71.239999999999995 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 64.209999999999994 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 61.229999999999997 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.530000000000001 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.040000000000006 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.209999999999994 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 71.450000000000003 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 73.510000000000005 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 62.25 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.540000000000006 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.439999999999998 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 54.119999999999997 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 73.319999999999993 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.209999999999994 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 . . . . . 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.340000000000003 110.345 173.212 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 73.219999999999999 110.19 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.200000000000003 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.444 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 63.420000000000002 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.530000000000001 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' SD ' ' A' ' 32' ' ' MET . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 72.310000000000002 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.450000000000003 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 65.140000000000001 111.036 178.097 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 59' ' ' LEU . 79.4 m-85 . . . . . 0 N--CA 1.476 0.831 0 N-CA-C 110.218 -0.29 . . . . 62.240000000000002 110.218 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.239999999999995 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.200000000000003 108.535 170.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.120000000000005 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.219999999999999 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.433 ' SG ' ' NE2' ' A' ' 62' ' ' HIS . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.340000000000003 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.420000000000002 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.549999999999997 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.420000000000002 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.450000000000003 111.546 177.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 64.540000000000006 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 65.120000000000005 109.856 173.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 25.23 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 54.219999999999999 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.329999999999998 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.450000000000003 110.566 -175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 52.539999999999999 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.433 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.310000000000002 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.400000000000006 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 62.299999999999997 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 70.230000000000004 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.8 p80 . . . . . 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.209999999999994 111.524 176.85 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 N--CA 1.481 1.106 0 N-CA-C 112.684 0.624 . . . . 75.310000000000002 112.684 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 72.099999999999994 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 73.310000000000002 110.115 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.409999999999997 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 63.149999999999999 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 71.219999999999999 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 72.019999999999996 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m . . . . . 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 63.409999999999997 110.583 170.997 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 m-85 . . . . . 0 C--O 1.2 -1.514 0 CA-C-O 118.793 -0.623 . . . . 72.340000000000003 109.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.319999999999993 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.200000000000003 112.049 -174.044 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.310000000000002 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.109999999999999 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.881 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.040000000000006 109.698 173.586 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.349999999999994 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.299999999999997 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 44.329999999999998 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 54.200000000000003 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.030000000000001 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 62.020000000000003 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 70.310000000000002 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 60.399999999999999 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 64.120000000000005 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.209999999999994 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.239999999999995 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.4 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.310000000000002 111.89 -172.358 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.030000000000001 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 60' ' ' LEU . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.329999999999998 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.340000000000003 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 . . . . . 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 74.5 111.417 175.613 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.435 ' HA ' HG12 ' A' ' 33' ' ' VAL . 11.7 p . . . . . 0 N--CA 1.484 1.24 0 CA-C-O 120.686 0.279 . . . . 64.010000000000005 111.61 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.450000000000003 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.230000000000004 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 71.010000000000005 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.420000000000002 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.150000000000006 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 62.32 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m . . . . . 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.340000000000003 112.386 177.536 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 . . . . . 0 N--CA 1.471 0.579 0 CA-C-O 120.786 0.326 . . . . 74.239999999999995 110.598 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 72.109999999999999 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.835 ' HG ' ' HG ' ' A' ' 49' ' ' CYS . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.540000000000006 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 64.109999999999999 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.835 ' HG ' ' HG ' ' A' ' 46' ' ' CYS . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.099999999999994 109.256 170.646 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.520000000000003 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 45.409999999999997 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 70.420000000000002 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.420000000000002 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.040000000000006 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' HG23 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.340000000000003 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 71.010000000000005 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.130000000000003 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.129999999999995 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.099999999999994 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.109999999999999 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 71.329999999999998 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 74.319999999999993 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 51.539999999999999 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 73.400000000000006 110.463 169.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 71.150000000000006 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.567 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 46.5 m-70 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 73.209999999999994 111.779 174.101 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.5 p . . . . . 0 N--CA 1.482 1.135 0 CA-C-O 120.644 0.259 . . . . 72.230000000000004 110.686 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.430000000000007 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 64.239999999999995 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 53.119999999999997 110.305 175.158 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 62.009999999999998 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 65.329999999999998 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.299999999999997 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.340000000000003 113.059 -173.55 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' HD22 ' A' ' 59' ' ' LEU . 93.3 m-85 . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 121.424 0.63 . . . . 62.420000000000002 110.907 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.140000000000001 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.030000000000001 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 63.350000000000001 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.439999999999998 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.129999999999995 110.638 -177.378 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.039999999999999 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.109999999999999 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 42.350000000000001 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.230000000000004 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 71.540000000000006 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.430000000000007 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 63.409999999999997 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.439999999999998 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 64.510000000000005 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 65.530000000000001 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.049999999999997 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.435 ' NH1' HD11 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.420000000000002 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 52.509999999999998 111.945 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.413 HD11 HD23 ' A' ' 60' ' ' LEU . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.430000000000007 111.234 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.420000000000002 110.902 172.424 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 . . . . . 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.140000000000001 111.48 173.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.479 0.998 0 N-CA-C 112.298 0.481 . . . . 74.310000000000002 112.298 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 72.150000000000006 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 52.219999999999999 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 70.530000000000001 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 62.310000000000002 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 55.210000000000001 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 74.400000000000006 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t . . . . . 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 110.648 176.879 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 120.669 0.271 . . . . 72.099999999999994 110.878 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 74.439999999999998 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.120000000000005 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.549999999999997 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 73.519999999999996 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.675 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.119999999999997 113.494 -169.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.549999999999997 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 65.140000000000001 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.439999999999998 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 64.439999999999998 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 73.340000000000003 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.200000000000003 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 63.229999999999997 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 73.329999999999998 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 61.240000000000002 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.430000000000007 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.340000000000003 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.43 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.439999999999998 111.297 -175.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 73.0 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 62.240000000000002 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 70.510000000000005 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 . . . . . 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 72.239999999999995 112.883 176.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m . . . . . 0 CA--C 1.547 0.83 0 CA-C-O 119.613 -0.232 . . . . 74.310000000000002 111.307 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 70.219999999999999 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 62.140000000000001 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 54.140000000000001 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 65.120000000000005 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 64.5 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.239999999999995 112.081 -179.162 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 59' ' ' LEU . 82.6 m-85 . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 72.430000000000007 109.796 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.319999999999993 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 74.25 108.151 165.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 45.399999999999999 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.010000000000005 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.693 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.009999999999998 108.38 169.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 63.119999999999997 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 61.340000000000003 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.299999999999997 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.420000000000002 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 55' ' ' GLN . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 63.530000000000001 110.173 171.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 54' ' ' THR . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.150000000000006 108.79 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 65.349999999999994 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.129999999999995 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.019999999999996 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.430000000000007 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.150000000000006 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.099999999999994 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.019999999999996 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 73.129999999999995 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.319999999999993 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 . . . . . 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.025 176.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 N--CA 1.485 1.311 0 N-CA-C 112.363 0.505 . . . . 74.420000000000002 112.363 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 74.109999999999999 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 73.409999999999997 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.239999999999995 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.209999999999994 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.420000000000002 111.064 179.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 72.25 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p . . . . . 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 71.299999999999997 111.669 -178.087 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.2 m-85 . . . . . 0 N--CA 1.47 0.536 0 CA-C-O 120.659 0.266 . . . . 74.120000000000005 110.977 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 71.109999999999999 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 64.319999999999993 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.239999999999995 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.420000000000002 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.697 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.530000000000001 110.205 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.129999999999995 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.120000000000005 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 72.349999999999994 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.010000000000005 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 72.010000000000005 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.409999999999997 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.530000000000001 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 50.229999999999997 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 51.219999999999999 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.200000000000003 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 64.319999999999993 110.835 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.485 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.530000000000001 110.969 -172.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 63.450000000000003 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 60.399999999999999 110.992 174.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 51.539999999999999 112.506 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 . . . . . 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 111.353 173.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p . . . . . 0 N--CA 1.483 1.217 0 N-CA-C 112.49 0.552 . . . . 75.219999999999999 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.140000000000001 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 62.420000000000002 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.219999999999999 110.506 -177.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 64.349999999999994 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 74.450000000000003 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.430000000000007 110.173 179.198 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.514 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 . . . . . 0 N--CA 1.47 0.556 0 CA-C-O 121.222 0.534 . . . . 71.400000000000006 109.759 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.129999999999995 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.530000000000001 109.031 166.028 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 71.519999999999996 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 52.310000000000002 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.629 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.319999999999993 110.486 164.397 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.319999999999993 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 62.409999999999997 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 63.140000000000001 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.120000000000005 109.002 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.409999999999997 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 53.409999999999997 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 62.399999999999999 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.119999999999997 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 62.509999999999998 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.510000000000005 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.430000000000007 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.219999999999999 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.508 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.409999999999997 110.947 177.49 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.120000000000005 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.439999999999998 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.530000000000001 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 . . . . . 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.109999999999999 111.06 177.317 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 31' ' ' LEU . 12.2 m . . . . . 0 CA--C 1.546 0.8 0 N-CA-C 112.722 0.638 . . . . 72.030000000000001 112.722 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.349999999999994 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 73.019999999999996 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.120000000000005 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.099999999999994 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.340000000000003 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.119999999999997 110.7 171.498 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 . . . . . 0 N--CA 1.473 0.682 0 CA-C-O 121.865 0.84 . . . . 74.040000000000006 111.585 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.329999999999998 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.349999999999994 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.129999999999995 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.120000000000005 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.554 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.219999999999999 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.439999999999998 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.430000000000007 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.010000000000005 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.209999999999994 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 51.229999999999997 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.438 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.530000000000001 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 70.129999999999995 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.520000000000003 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 71.340000000000003 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.430000000000007 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.019999999999996 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.209999999999994 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.540000000000006 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 72.230000000000004 110.743 174.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 54.009999999999998 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 . . . . . 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.209999999999994 111.363 171.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.5 m . . . . . 0 CA--C 1.541 0.616 0 N-CA-C 112.041 0.386 . . . . 63.039999999999999 112.041 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.109999999999999 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 62.450000000000003 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.209999999999994 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 72.439999999999998 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 65.409999999999997 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 74.310000000000002 111.222 -174.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m . . . . . 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.310000000000002 111.079 -179.111 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 . . . . . 0 N--CA 1.47 0.561 0 CA-C-O 122.016 0.912 . . . . 72.530000000000001 109.826 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' HIS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 61.009999999999998 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.109999999999999 109.46 173.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.510000000000005 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.219999999999999 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' CYS . . . . . 0.696 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.319999999999993 109.3 168.654 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 61.310000000000002 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 63.409999999999997 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 51.399999999999999 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.420000000000002 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.209999999999994 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 52.420000000000002 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.310000000000002 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.040000000000006 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.019999999999996 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.109999999999999 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.319999999999993 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 64.040000000000006 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 73.239999999999995 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.230000000000004 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.519999999999996 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' HIS . . . . . 0.508 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 83.3 m-70 . . . . . 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.219999999999999 111.451 174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.483 1.199 0 N-CA-C 109.49 -0.559 . . . . 71.25 109.49 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -100.78 177.82 28.19 Favored Glycine 0 C--N 1.349 1.285 0 CA-C-N 116.111 -0.495 . . . . 51.439999999999998 112.868 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -136.03 134.93 39.01 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.792 0.837 . . . . 75.040000000000006 110.034 -176.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 27.7 t60 -152.97 122.93 6.95 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.829 0.851 . . . . 62.420000000000002 109.069 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 t-80 -100.41 161.86 13.33 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.352 0.661 . . . . 72.540000000000006 110.403 -178.315 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 44.0 t-80 -143.8 104.88 4.23 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.685 0.794 . . . . 72.099999999999994 109.342 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -171.25 93.04 0.16 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.165 0.986 . . . . 62.420000000000002 109.941 175.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 93.9 m-70 -141.94 84.1 1.87 Allowed 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 107.491 -1.299 . . . . 75.230000000000004 107.491 175.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.5 t -91.99 128.24 37.75 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.733 -1.122 . . . . 54.439999999999998 111.376 -169.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 65.9 m-70 -140.53 129.72 23.64 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.278 1.031 . . . . 73.120000000000005 108.558 174.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 26.0 ptm -136.38 146.14 54.71 Favored Pre-proline 0 N--CA 1.472 0.674 0 C-N-CA 122.972 0.509 . . . . 72.239999999999995 109.985 178.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_endo -74.85 159.83 41.35 Favored 'Trans proline' 0 C--N 1.372 1.807 0 C-N-CA 122.181 1.92 . . . . 64.140000000000001 112.495 174.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.6 p-10 -162.29 169.45 20.62 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.43 1.092 . . . . 41.229999999999997 109.511 175.558 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 90.23 165.95 40.95 Favored Glycine 0 C--N 1.345 1.054 0 CA-C-N 116.085 -0.507 . . . . 75.230000000000004 112.574 -177.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 54.4 mtmt -144.28 178.75 7.69 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 124.552 1.141 . . . . 64.439999999999998 109.126 -177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 6.7 mp -104.41 158.2 16.63 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.209 0.604 . . . . 44.200000000000003 110.705 -178.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.1 ptmm? -101.75 138.42 38.75 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 123.508 0.723 . . . . 74.340000000000003 109.502 173.476 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 26.9 p -145.78 27.11 1.22 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.961 0.904 . . . . 71.200000000000003 109.857 -177.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -57.62 130.17 45.19 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.599 1.16 . . . . 70.230000000000004 111.822 -177.165 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.6 m -78.64 130.97 35.43 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.842 0 C-N-CA 122.914 0.485 . . . . 62.439999999999998 110.592 -172.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.1 m -146.55 91.11 2.0 Allowed 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.787 0.835 . . . . 63.329999999999998 109.261 -176.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -175.3 52.27 0.13 Allowed Glycine 0 C--N 1.341 0.809 0 N-CA-C 111.403 -0.679 . . . . 72.409999999999997 111.403 -179.182 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.3 mpt? -80.59 130.3 35.04 Favored 'General case' 0 N--CA 1.47 0.545 0 C-N-CA 123.715 0.806 . . . . 71.140000000000001 109.23 -178.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.1 p -113.26 137.94 44.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.804 0 C-N-CA 123.486 0.714 . . . . 53.420000000000002 110.05 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 24.9 p -90.13 159.38 16.81 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.367 0.667 . . . . 62.329999999999998 110.29 175.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 8.0 tp -126.3 147.3 31.14 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 124.363 1.065 . . . . 70.540000000000006 108.249 178.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -118.87 156.18 15.77 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.512 -0.604 . . . . 70.109999999999999 112.004 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 79.8 Cg_endo -75.68 173.52 14.36 Favored 'Trans proline' 0 C--N 1.371 1.724 0 C-N-CA 122.661 2.241 . . . . 65.310000000000002 111.311 173.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 50.0 t-20 -73.26 89.3 1.55 Allowed 'General case' 0 CA--C 1.548 0.873 0 N-CA-C 109.102 -0.703 . . . . 62.310000000000002 109.102 178.214 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 22.8 m -75.59 -27.34 18.84 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.732 0 C-N-CA 124.129 0.971 . . . . 72.329999999999998 110.853 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 85.9 mt -65.47 -44.04 88.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.79 0.836 . . . . 71.439999999999998 111.088 -176.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.9 tpp -70.89 -45.23 64.73 Favored 'General case' 0 C--N 1.352 0.682 0 C-N-CA 123.418 0.687 . . . . 72.430000000000007 111.259 -176.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 8.6 p -71.36 -35.12 56.15 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.175 0 C-N-CA 122.53 0.332 . . . . 64.340000000000003 111.661 -176.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 9.0 m-70 -68.95 -39.26 79.64 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.284 0.234 . . . . 64.140000000000001 110.704 176.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -61.93 -43.07 99.6 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 123.583 0.552 . . . . 70.450000000000003 109.516 173.659 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 22.5 tpp180 -61.22 -39.71 91.28 Favored 'General case' 0 N--CA 1.473 0.724 0 O-C-N 124.284 0.99 . . . . 75.420000000000002 110.557 -176.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.8 m -66.06 -35.44 80.55 Favored 'General case' 0 CA--C 1.542 0.669 0 CA-C-N 115.244 -0.889 . . . . 74.340000000000003 111.105 176.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 32.1 m170 -76.46 -23.82 53.87 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.234 0.614 . . . . 72.019999999999996 111.802 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 46.1 m -73.32 129.52 38.2 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.011 -0.737 . . . . 54.5 109.011 174.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -61.98 -76.25 0.26 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 123.721 0.638 . . . . 74.219999999999999 113.15 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -150.12 -42.2 0.13 Allowed 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.144 0.978 . . . . 71.439999999999998 109.177 178.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 82.7 mtm180 -106.49 117.09 57.93 Favored Pre-proline 0 CA--C 1.538 0.499 0 C-N-CA 124.194 0.998 . . . . 73.540000000000006 108.447 175.596 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_exo -64.86 103.6 0.5 Allowed 'Trans proline' 0 C--N 1.373 1.836 0 C-N-CA 122.253 1.969 . . . . 71.120000000000005 110.34 171.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.47 ' HB3' HD22 ' A' ' 59' ' ' LEU . 76.2 m-85 -73.26 79.06 1.31 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.699 0.8 . . . . 71.209999999999994 110.531 -177.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 55.9 p-80 -91.49 130.08 37.37 Favored 'General case' 0 C--O 1.238 0.494 0 CA-C-N 115.836 -0.62 . . . . 75.010000000000005 109.636 -175.137 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.888 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.5 t -70.91 109.76 5.24 Favored 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.731 -0.668 . . . . 71.019999999999996 109.777 174.383 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 86.7 m-20 -62.71 -26.4 68.66 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.879 0.872 . . . . 60.009999999999998 111.498 179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -110.49 73.47 0.83 Allowed 'General case' 0 C--O 1.239 0.543 0 N-CA-C 107.513 -1.291 . . . . 61.310000000000002 107.513 173.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.442 ' HB2' ' HB3' ' A' ' 46' ' ' CYS . 19.1 m 173.67 -44.9 0.01 OUTLIER 'General case' 0 N--CA 1.503 2.198 0 C-N-CA 125.781 1.633 . . . . 55.310000000000002 109.768 173.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 76.09 22.94 72.85 Favored Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.138 -0.785 . . . . 71.409999999999997 111.138 -164.041 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -98.01 144.02 27.96 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.846 0.858 . . . . 63.530000000000001 109.723 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 27.3 t -106.6 126.87 52.82 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 122.542 0.337 . . . . 64.129999999999995 110.714 -175.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 55.5 m-85 -121.67 163.6 18.73 Favored 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.371 1.068 . . . . 64.209999999999994 108.221 174.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.5 t -125.49 2.66 7.66 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 123.243 0.617 . . . . 70.430000000000007 109.59 169.428 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.3 mm100 -112.27 117.63 33.05 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 123.899 0.88 . . . . 74.299999999999997 108.686 -178.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.49 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 59.8 pttt -64.54 -48.8 73.73 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 124.057 0.943 . . . . 52.439999999999998 110.864 -179.002 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.06 -27.21 66.85 Favored Glycine 0 C--N 1.353 1.5 0 O-C-N 123.477 0.486 . . . . 52.130000000000003 113.184 -177.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -69.99 -53.15 18.96 Favored 'General case' 0 C--N 1.354 0.78 0 C-N-CA 123.04 0.536 . . . . 74.5 109.584 172.501 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.47 HD22 ' HB3' ' A' ' 44' ' ' PHE . 53.1 tp -62.32 -36.88 83.54 Favored 'General case' 0 CA--C 1.549 0.925 0 O-C-N 123.912 0.758 . . . . 60.119999999999997 111.742 -176.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.49 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 88.6 mt -67.86 -40.75 83.58 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 123.677 0.791 . . . . 60.100000000000001 111.269 -174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.8 ptt180 -80.79 -29.24 36.1 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 116.861 -0.154 . . . . 74.239999999999995 110.896 173.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -63.04 -45.01 94.26 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 123.286 0.634 . . . . 71.439999999999998 110.922 -177.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 36.3 pt -66.37 -29.18 45.79 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 CA-C-N 115.571 -0.741 . . . . 62.020000000000003 110.634 179.268 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.503 ' HG2' ' HD3' ' A' ' 70' ' ' LYS . 38.9 ttmt -72.02 -54.05 11.06 Favored 'General case' 0 C--N 1.351 0.657 0 C-N-CA 124.144 0.977 . . . . 64.030000000000001 109.454 179.104 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mp -63.61 -9.36 13.17 Favored 'General case' 0 CA--C 1.556 1.182 0 C-N-CA 125.013 1.325 . . . . 74.510000000000005 112.789 -178.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 10.0 m-70 -64.5 -34.15 77.55 Favored 'General case' 0 N--CA 1.487 1.417 0 C-N-CA 123.209 0.603 . . . . 61.409999999999997 112.189 174.303 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 48.9 m -75.01 160.2 30.83 Favored 'General case' 0 C--O 1.242 0.689 0 O-C-N 123.467 0.479 . . . . 64.510000000000005 110.543 175.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.39 -10.09 56.48 Favored Glycine 0 C--N 1.349 1.259 0 N-CA-C 114.6 0.6 . . . . 53.409999999999997 114.6 -175.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -179.03 5.62 Favored 'General case' 0 CA--C 1.555 1.172 0 C-N-CA 124.129 0.972 . . . . 64.010000000000005 109.29 174.644 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.503 ' HD3' ' HG2' ' A' ' 64' ' ' LYS . 0.9 OUTLIER 72.36 131.73 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.532 0 C-N-CA 124.62 1.168 . . . . 72.340000000000003 111.615 -177.339 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -70.45 143.07 46.46 Favored 'Trans proline' 0 C--N 1.373 1.822 0 C-N-CA 122.339 2.026 . . . . 74.5 111.035 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -88.64 93.08 9.44 Favored 'General case' 0 CA--C 1.54 0.584 0 N-CA-C 108.477 -0.934 . . . . 61.329999999999998 108.477 177.569 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 CA--C 1.56 1.341 0 C-N-CA 124.799 1.24 . . . . 75.120000000000005 109.59 -171.37 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.888 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.484 1.266 0 N-CA-C 108.862 -0.792 . . . . 74.140000000000001 108.862 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -131.79 163.33 23.8 Favored Glycine 0 C--N 1.34 0.795 0 N-CA-C 111.744 -0.542 . . . . 43.32 111.744 -177.492 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -138.0 119.8 15.24 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.243 0.617 . . . . 71.239999999999995 109.489 -179.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -159.32 131.46 6.53 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 123.954 0.901 . . . . 71.439999999999998 108.767 179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 74.2 m-70 -138.02 177.18 8.07 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.631 0.772 . . . . 65.340000000000003 109.914 178.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -153.75 144.2 22.36 Favored 'General case' 0 CA--C 1.545 0.762 0 CA-C-N 115.429 -0.805 . . . . 70.349999999999994 108.914 179.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.6 p-80 -163.98 72.03 0.24 Allowed 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.803 0.811 . . . . 73.420000000000002 109.773 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.2 m170 -128.99 82.75 2.1 Favored 'General case' 0 N--CA 1.476 0.831 0 CA-C-N 115.304 -0.862 . . . . 72.519999999999996 108.868 177.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.4 p -147.91 103.97 3.53 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 123.189 0.595 . . . . 74.430000000000007 109.71 179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.0 t-80 -137.86 95.97 3.14 Favored 'General case' 0 CA--C 1.535 0.377 0 N-CA-C 107.039 -1.467 . . . . 73.030000000000001 107.039 172.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.473 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.1 mpt? -63.17 108.07 1.56 Allowed Pre-proline 0 N--CA 1.476 0.826 0 O-C-N 124.899 1.375 . . . . 71.409999999999997 111.614 -167.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 94.9 Cg_endo -85.81 142.1 7.72 Favored 'Trans proline' 0 C--N 1.368 1.571 0 C-N-CA 122.411 2.074 . . . . 72.049999999999997 112.152 179.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.8 p-10 -151.48 161.96 41.78 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 123.345 0.658 . . . . 65.030000000000001 109.701 177.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -176.69 -169.74 38.39 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-N 116.068 -0.514 . . . . 74.230000000000004 111.837 -178.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 47.5 mmtm 61.62 29.87 18.37 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.573 1.149 . . . . 73.230000000000004 112.049 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -76.48 95.36 3.85 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 109.134 -0.691 . . . . 75.420000000000002 109.134 173.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 20.5 ptmt -155.67 147.14 22.82 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 123.73 0.812 . . . . 73.400000000000006 110.341 -174.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 93.0 m -144.94 77.83 1.54 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 123.746 0.818 . . . . 74.439999999999998 109.447 176.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 10.3 p-10 -84.69 115.06 22.47 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 114.667 -1.151 . . . . 61.509999999999998 110.431 -178.088 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 43.2 t -127.6 107.17 16.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.917 0 C-N-CA 123.354 0.662 . . . . 73.030000000000001 109.794 -174.654 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.5 p -155.7 100.79 2.11 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.181 0.593 . . . . 42.100000000000001 109.795 174.579 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -123.68 31.42 4.59 Favored Glycine 0 C--N 1.346 1.088 0 CA-C-N 115.976 -0.556 . . . . 45.340000000000003 112.82 179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -72.2 99.76 2.43 Favored 'General case' 0 CA--C 1.552 1.041 0 CA-C-O 121.562 0.696 . . . . 75.25 109.746 174.779 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 28.9 m -110.72 154.43 12.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 CA-C-N 115.814 -0.63 . . . . 72.040000000000006 110.51 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 52.2 t -105.72 136.34 45.51 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 108.579 -0.897 . . . . 54.020000000000003 108.579 174.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.5 tp -142.55 143.79 25.39 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.889 0 N-CA-C 109.561 -0.533 . . . . 73.340000000000003 109.561 -175.577 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 171.4 72.97 0.04 OUTLIER Glycine 0 CA--C 1.527 0.819 0 N-CA-C 111.423 -0.671 . . . . 70.230000000000004 111.423 178.446 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 5.7 Cg_exo -74.1 121.83 7.18 Favored 'Trans proline' 0 C--N 1.375 1.924 0 C-N-CA 122.89 2.394 . . . . 74.519999999999996 111.766 -178.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 52.4 t-20 -87.53 65.95 8.8 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-O 122.368 1.08 . . . . 72.510000000000005 108.408 179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 11.6 p -68.3 -24.48 29.78 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 CA-C-N 114.45 -1.25 . . . . 73.109999999999999 110.218 179.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.9 tt -58.11 -44.61 87.81 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.848 1.259 . . . . 62.109999999999999 111.321 175.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.8 ttt -62.73 -41.71 99.3 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.22 0.608 . . . . 73.200000000000003 110.94 -178.026 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 46.7 t -69.07 -39.26 79.35 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 CA-C-N 115.141 -0.936 . . . . 71.129999999999995 110.228 177.509 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 61.6 t60 -67.54 -29.99 69.53 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.124 0.97 . . . . 73.349999999999994 111.298 -178.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 3.7 tppp? -67.35 -27.11 66.85 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.422 0.689 . . . . 62.310000000000002 110.709 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.6 mmt85 -67.84 -25.64 65.65 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 123.643 0.777 . . . . 71.140000000000001 111.137 177.189 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 26.9 t -73.21 -37.84 66.29 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 122.917 0.487 . . . . 74.099999999999994 109.927 173.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -65.43 -33.46 76.01 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-N 115.81 -0.632 . . . . 72.150000000000006 110.515 174.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 31.8 m -61.2 -56.67 18.01 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 123.875 0.734 . . . . 74.530000000000001 110.475 175.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 67.06 -84.09 0.12 Allowed Glycine 0 C--N 1.351 1.393 0 O-C-N 123.987 0.804 . . . . 71.310000000000002 112.126 -176.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -71.08 113.58 8.26 Favored 'General case' 0 CA--C 1.539 0.527 0 C-N-CA 123.958 0.903 . . . . 74.420000000000002 110.54 176.407 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 18.0 ptp180 -110.8 156.05 41.32 Favored Pre-proline 0 N--CA 1.476 0.836 0 C-N-CA 123.588 0.755 . . . . 74.329999999999998 109.097 177.076 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 37.2 Cg_exo -63.1 110.07 1.09 Allowed 'Trans proline' 0 C--N 1.374 1.894 0 C-N-CA 121.739 1.626 . . . . 74.420000000000002 110.65 170.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.529 ' HB3' HD22 ' A' ' 59' ' ' LEU . 66.0 m-85 -73.17 84.46 1.35 Allowed 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.603 0.761 . . . . 63.450000000000003 109.971 179.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 59.7 t-80 -89.58 125.19 35.13 Favored 'General case' 0 N--CA 1.466 0.331 0 CA-C-N 115.515 -0.766 . . . . 54.43 110.373 -173.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.478 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 28.9 t -69.89 92.69 0.71 Allowed 'General case' 0 C--O 1.246 0.878 0 CA-C-N 114.905 -1.043 . . . . 54.240000000000002 110.134 168.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.9 m-20 -71.23 72.35 0.64 Allowed 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.283 1.033 . . . . 63.420000000000002 110.353 177.211 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 -172.59 -43.07 0.02 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 CA-C-N 115.955 -0.566 . . . . 71.319999999999993 110.577 -177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 13.0 p -109.57 -25.21 10.57 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.334 0.654 . . . . 60.409999999999997 111.869 -178.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.78 -5.58 56.71 Favored Glycine 0 C--N 1.349 1.264 0 CA-C-O 120.105 -0.275 . . . . 63.420000000000002 113.031 -179.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.95 139.29 50.6 Favored 'General case' 0 CA--C 1.54 0.581 0 C-N-CA 122.99 0.516 . . . . 62.509999999999998 110.415 175.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.53 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 22.8 t -123.99 137.97 54.53 Favored 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.537 0.735 . . . . 73.430000000000007 109.155 179.5 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -126.36 167.65 15.23 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-O 121.246 0.546 . . . . 73.109999999999999 110.47 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -121.55 -2.26 9.45 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.525 -0.761 . . . . 70.450000000000003 109.052 170.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.5 mm100 -112.3 122.98 49.27 Favored 'General case' 0 C--N 1.353 0.731 0 C-N-CA 123.832 0.853 . . . . 52.329999999999998 110.427 -178.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 53.3 mtmt -70.83 -29.54 65.72 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.805 0.691 . . . . 63.420000000000002 110.94 173.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.69 -36.09 92.18 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.738 -0.545 . . . . 52.119999999999997 111.738 176.093 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -79.93 -37.05 35.37 Favored 'General case' 0 CA--C 1.545 0.761 0 C-N-CA 123.974 0.91 . . . . 73.349999999999994 110.4 175.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 44' ' ' PHE . 29.2 tp -64.94 -51.32 62.49 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.196 0.598 . . . . 61.219999999999999 111.612 -177.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -64.2 -35.31 80.4 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 123.564 0.745 . . . . 62.310000000000002 112.259 -168.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -78.33 -30.72 48.32 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 122.601 0.36 . . . . 75.319999999999993 111.284 175.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 19.2 t60 -71.21 -46.21 61.69 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.062 0.945 . . . . 62.140000000000001 111.501 -179.006 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.517 ' HA ' ' HD2' ' A' ' 66' ' ' HIS . 26.1 pt -69.41 -25.78 29.9 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 110.96 179.649 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.412 ' HA ' ' HE3' ' A' ' 70' ' ' LYS . 16.7 ttpt -66.41 -31.23 71.87 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.865 0.866 . . . . 71.049999999999997 111.052 174.502 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 68.8 mt -67.82 -13.25 61.98 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.438 0.695 . . . . 54.509999999999998 111.152 175.243 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' HD2' ' HA ' ' A' ' 63' ' ' ILE . 99.5 m-70 -98.31 31.62 2.74 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.24 1.016 . . . . 71.409999999999997 110.484 175.693 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.6 t 72.66 -171.29 0.14 Allowed 'General case' 0 N--CA 1.483 1.187 0 C-N-CA 124.374 1.07 . . . . 72.420000000000002 110.744 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -64.09 -26.68 70.52 Favored Glycine 0 C--N 1.35 1.318 0 CA-C-N 116.41 -0.359 . . . . 32.420000000000002 113.293 178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 10.7 mp0 -82.81 80.65 8.82 Favored 'General case' 0 N--CA 1.474 0.754 0 C-N-CA 124.389 1.076 . . . . 71.040000000000006 108.979 -177.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.505 ' HB2' ' HB ' ' A' ' 63' ' ' ILE . 8.8 ptpp? -120.62 145.57 41.27 Favored Pre-proline 0 CA--C 1.547 0.858 0 C-N-CA 123.026 0.53 . . . . 74.140000000000001 110.714 -173.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 73.1 Cg_endo -71.35 134.62 25.05 Favored 'Trans proline' 0 C--N 1.364 1.38 0 C-N-CA 122.344 2.029 . . . . 73.430000000000007 111.732 175.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 63.4 t80 -153.79 -54.9 0.11 Allowed 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 109.147 -0.686 . . . . 71.239999999999995 109.147 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.25 0 C-N-CA 123.542 0.737 . . . . 62.119999999999997 110.6 179.26 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.5 mtm . . . . . 0 N--CA 1.482 1.169 0 N-CA-C 109.41 -0.589 . . . . 72.329999999999998 109.41 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -136.04 148.43 19.66 Favored Glycine 0 C--N 1.344 0.993 0 N-CA-C 112.361 -0.295 . . . . 71.319999999999993 112.361 -178.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.3 m170 -100.06 23.52 9.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.615 0.766 . . . . 74.239999999999995 109.767 178.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 37.3 t-80 -59.52 111.37 1.38 Allowed 'General case' 0 C--N 1.349 0.574 0 C-N-CA 124.384 1.074 . . . . 75.540000000000006 111.104 -179.017 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -138.41 151.02 47.09 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.794 0.838 . . . . 74.230000000000004 109.319 174.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 25.5 t60 -128.66 122.45 30.84 Favored 'General case' 0 C--O 1.238 0.48 0 N-CA-C 109.029 -0.73 . . . . 72.409999999999997 109.029 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 73.5 t60 -74.18 95.2 2.56 Favored 'General case' 0 CA--C 1.548 0.887 0 O-C-N 123.727 0.642 . . . . 71.340000000000003 109.395 177.221 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 25.8 t-80 -76.32 109.32 9.92 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 123.062 0.545 . . . . 74.219999999999999 110.467 -179.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -151.54 145.82 25.43 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 123.871 0.868 . . . . 50.32 110.178 177.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 46.6 m80 -152.81 136.94 16.44 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 125.087 1.355 . . . . 71.329999999999998 108.221 172.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 12.5 tpt -122.44 95.95 46.42 Favored Pre-proline 0 N--CA 1.482 1.127 0 C-N-CA 122.737 0.415 . . . . 72.420000000000002 110.875 -179.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_endo -83.73 145.75 11.63 Favored 'Trans proline' 0 C--N 1.368 1.605 0 C-N-CA 122.411 2.074 . . . . 71.120000000000005 111.431 168.243 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 p-10 -90.06 162.49 15.31 Favored 'General case' 0 N--CA 1.482 1.154 0 N-CA-C 109.598 -0.519 . . . . 72.230000000000004 109.598 169.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.95 90.72 0.13 Allowed Glycine 0 C--N 1.339 0.715 0 N-CA-C 112.176 -0.37 . . . . 74.430000000000007 112.176 -177.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 39.2 ttmt -123.25 118.31 27.29 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 108.3 -1.0 . . . . 71.519999999999996 108.3 171.642 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.7 mp -102.73 99.62 9.6 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.576 0.75 . . . . 74.140000000000001 109.098 -178.056 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 7.9 tmtm? -70.97 92.84 0.95 Allowed 'General case' 0 CA--C 1.543 0.698 0 N-CA-C 108.322 -0.992 . . . . 71.319999999999993 108.322 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 12.2 p -105.84 99.99 9.57 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 124.037 0.935 . . . . 74.329999999999998 108.802 176.68 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -88.06 119.41 28.42 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.433 0.693 . . . . 62.310000000000002 110.093 -174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.7 p -103.87 131.0 53.54 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.924 0 C-N-CA 123.6 0.76 . . . . 73.409999999999997 109.929 177.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 57.6 m -117.27 81.36 1.63 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.783 0.833 . . . . 74.140000000000001 109.741 179.764 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -82.33 86.02 1.46 Allowed Glycine 0 C--N 1.348 1.199 0 N-CA-C 111.609 -0.596 . . . . 63.039999999999999 111.609 179.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 20.8 ptp -158.26 175.52 13.64 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.987 0.915 . . . . 53.310000000000002 110.588 -172.446 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 58.9 t 58.01 88.57 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.484 1.231 0 C-N-CA 124.651 1.18 . . . . 74.0 111.895 177.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 40.8 t -65.97 151.07 47.6 Favored 'General case' 0 CA--C 1.548 0.892 0 CA-C-N 115.73 -0.668 . . . . 74.420000000000002 111.089 174.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 11.3 tp -144.91 159.0 14.07 Favored 'Isoleucine or valine' 0 C--O 1.244 0.784 0 C-N-CA 124.132 0.973 . . . . 74.439999999999998 108.986 -178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.54 91.35 1.9 Allowed Glycine 0 C--N 1.34 0.767 0 N-CA-C 111.268 -0.733 . . . . 73.329999999999998 111.268 178.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 87.3 Cg_endo -84.08 178.45 5.29 Favored 'Trans proline' 0 C--N 1.37 1.666 0 C-N-CA 122.937 2.425 . . . . 72.219999999999999 112.063 178.491 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -88.34 30.09 0.91 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 123.169 0.588 . . . . 75.219999999999999 110.989 -179.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.5 m -62.82 -28.91 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 123.551 0.74 . . . . 72.439999999999998 112.214 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 56.0 tp -67.1 -39.26 86.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.848 0.459 . . . . 73.430000000000007 110.392 176.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 63.9 mtt -64.81 -37.84 88.98 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.257 0.623 . . . . 63.350000000000001 110.283 175.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.63 -38.79 83.18 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.717 0 CA-C-N 115.511 -0.768 . . . . 52.310000000000002 110.679 177.4 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 36.5 m170 -71.91 -39.97 69.14 Favored 'General case' 0 N--CA 1.477 0.898 0 CA-C-N 115.98 -0.554 . . . . 72.430000000000007 110.436 -179.512 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -63.17 -38.31 90.67 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.344 0.658 . . . . 73.5 110.548 176.028 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 4.2 tmt_? -64.9 -44.82 88.34 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.493 0.717 . . . . 71.120000000000005 109.519 179.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 28.3 t -68.08 -29.04 67.89 Favored 'General case' 0 CA--C 1.546 0.823 0 CA-C-N 115.57 -0.741 . . . . 62.32 111.012 177.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 8.3 t-160 -103.19 22.85 13.34 Favored 'General case' 0 CA--C 1.551 0.986 0 C-N-CA 123.997 0.919 . . . . 74.230000000000004 110.824 -175.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 43.6 m -75.65 87.17 2.72 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.443 0.64 . . . . 63.549999999999997 109.683 176.31 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -73.2 -41.81 45.37 Favored Glycine 0 C--N 1.345 1.03 0 CA-C-N 115.308 -0.86 . . . . 62.020000000000003 111.809 176.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -77.82 104.26 8.26 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.337 0.655 . . . . 74.340000000000003 109.842 -179.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.658 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -55.5 112.11 3.85 Favored Pre-proline 0 CA--C 1.555 1.139 0 C-N-CA 124.261 1.024 . . . . 72.219999999999999 110.697 170.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 89.7 Cg_endo -74.87 83.45 1.79 Allowed 'Trans proline' 0 C--N 1.38 2.191 0 C-N-CA 122.86 2.373 . . . . 74.25 112.49 -173.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 21.9 m-30 -100.11 60.31 1.05 Allowed 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.305 -0.862 . . . . 72.25 109.619 176.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 11.6 m-70 -105.55 136.2 45.56 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 122.731 0.412 . . . . 65.120000000000005 110.018 179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.632 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 29.1 t -87.68 103.63 15.77 Favored 'General case' 0 C--O 1.245 0.855 0 N-CA-C 107.192 -1.411 . . . . 64.129999999999995 107.192 166.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -43.22 -72.11 0.07 Allowed 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 125.337 1.455 . . . . 53.420000000000002 114.425 -162.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.7 pt20 -80.07 -4.75 54.05 Favored 'General case' 0 N--CA 1.488 1.464 0 N-CA-C 113.055 0.761 . . . . 71.209999999999994 113.055 -172.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.872 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 79.7 m -80.67 -32.39 36.07 Favored 'General case' 0 N--CA 1.478 0.935 0 CA-C-O 120.829 0.347 . . . . 74.349999999999994 110.144 172.734 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.98 23.01 75.83 Favored Glycine 0 C--N 1.345 1.057 0 CA-C-N 115.407 -0.815 . . . . 50.329999999999998 111.753 -174.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -92.69 100.62 13.09 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 123.72 0.808 . . . . 73.349999999999994 109.864 -177.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 35.3 t -81.88 128.09 33.69 Favored 'General case' 0 C--O 1.24 0.588 0 CA-C-N 116.131 -0.486 . . . . 62.350000000000001 109.834 176.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 66.2 m-85 -125.54 143.52 50.97 Favored 'General case' 0 N--CA 1.47 0.561 0 N-CA-C 108.627 -0.879 . . . . 50.340000000000003 108.627 171.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.7 t -103.67 -24.93 13.32 Favored 'General case' 0 C--N 1.323 -0.565 0 N-CA-C 109.015 -0.735 . . . . 64.040000000000006 109.015 171.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 80.0 mm-40 -100.79 131.7 46.55 Favored 'General case' 0 C--O 1.244 0.805 0 C-N-CA 123.357 0.663 . . . . 74.230000000000004 109.881 -179.618 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 21.8 ptmt -63.97 -33.7 76.32 Favored 'General case' 0 C--O 1.205 -1.288 0 O-C-N 123.815 0.697 . . . . 75.120000000000005 111.237 179.456 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.68 -37.86 90.46 Favored Glycine 0 C--N 1.347 1.148 0 CA-C-N 117.917 0.326 . . . . 73.420000000000002 112.817 178.584 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -75.01 -37.31 61.85 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.578 0.751 . . . . 72.319999999999993 111.215 179.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.5 tp -67.54 -49.58 62.61 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 122.596 0.358 . . . . 72.329999999999998 110.777 176.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 61.3 mt -60.94 -37.11 81.18 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.29 1.036 . . . . 75.040000000000006 110.655 -176.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.516 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 42.8 ttm180 -61.43 -55.16 34.48 Favored 'General case' 0 CA--C 1.539 0.554 0 O-C-N 123.964 0.79 . . . . 71.109999999999999 110.028 173.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.3 t60 -57.91 -51.87 67.85 Favored 'General case' 0 N--CA 1.481 1.082 0 C-N-CA 124.508 1.123 . . . . 64.030000000000001 112.319 -172.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 32.7 pt -66.12 -27.14 39.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 C-N-CA 123.379 0.672 . . . . 53.310000000000002 111.202 -177.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.686 ' HG2' ' HA ' ' A' ' 69' ' ' GLU . 35.5 ttpt -73.77 -41.37 62.52 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.666 0.787 . . . . 65.040000000000006 110.22 175.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.8 mt -64.75 -27.1 68.67 Favored 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 123.667 0.787 . . . . 75.019999999999996 111.644 -179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.0 m-70 -62.8 -38.23 89.86 Favored 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 123.35 0.66 . . . . 73.409999999999997 111.706 175.48 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.0 m -84.97 0.05 52.68 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 115.383 -0.826 . . . . 71.230000000000004 111.744 177.079 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 64.76 49.4 63.97 Favored Glycine 0 C--N 1.355 1.604 0 N-CA-C 110.962 -0.855 . . . . 41.439999999999998 110.962 -173.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.686 ' HA ' ' HG2' ' A' ' 64' ' ' LYS . 39.5 tt0 70.11 139.3 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 125.864 1.666 . . . . 72.219999999999999 110.8 -169.441 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HG2' ' HG3' ' A' ' 64' ' ' LYS . 15.5 ptmt -147.33 154.23 45.32 Favored Pre-proline 0 CA--C 1.543 0.686 0 C-N-CA 123.092 0.557 . . . . 53.340000000000003 110.55 -174.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -74.38 63.96 5.43 Favored 'Trans proline' 0 C--N 1.372 1.812 0 C-N-CA 123.216 2.611 . . . . 72.140000000000001 112.799 176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 54.4 t80 -86.23 104.77 16.08 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.683 -0.689 . . . . 73.5 109.193 -177.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.546 ' HA ' ' HE2' ' A' ' 73' ' ' LYS . 11.4 mmpt? . . . . . 0 C--O 1.253 1.244 0 CA-C-O 118.456 -0.783 . . . . 73.340000000000003 108.976 178.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.872 'ZN ' ' HG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.477 0.894 0 N-CA-C 109.754 -0.462 . . . . 72.219999999999999 109.754 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -172.4 56.02 0.17 Allowed Glycine 0 C--N 1.342 0.898 0 N-CA-C 111.425 -0.67 . . . . 74.209999999999994 111.425 178.34 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 51.3 t-80 -84.75 121.22 27.37 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.797 0.839 . . . . 72.530000000000001 110.298 -178.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 25.1 p-80 -71.29 132.52 45.03 Favored 'General case' 0 N--CA 1.476 0.874 0 N-CA-C 109.609 -0.515 . . . . 74.439999999999998 109.609 174.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 43.7 t60 -157.65 105.39 2.03 Favored 'General case' 0 C--O 1.239 0.545 0 N-CA-C 108.888 -0.782 . . . . 65.530000000000001 108.888 178.142 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 34.2 p-80 -71.17 153.34 42.57 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 122.988 0.515 . . . . 72.439999999999998 109.706 176.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 68.5 m80 -103.53 -164.27 1.06 Allowed 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.601 0.76 . . . . 62.399999999999999 110.645 -175.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 29.9 m80 -68.84 165.63 19.38 Favored 'General case' 0 N--CA 1.484 1.243 0 CA-C-O 121.718 0.77 . . . . 74.530000000000001 113.071 -174.676 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 21.3 m -138.78 -174.14 3.75 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.191 1.396 . . . . 72.329999999999998 108.869 174.302 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -144.46 117.54 8.89 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 124.345 1.058 . . . . 73.030000000000001 108.33 175.478 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.7 mtp -126.54 87.86 55.54 Favored Pre-proline 0 N--CA 1.481 1.09 0 C-N-CA 123.273 0.629 . . . . 61.140000000000001 110.381 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 9.8 Cg_exo -73.72 108.08 2.56 Favored 'Trans proline' 0 C--N 1.375 1.939 0 C-N-CA 122.646 2.23 . . . . 75.540000000000006 111.373 171.158 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.3 t-20 -91.19 135.54 33.71 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 123.529 0.732 . . . . 71.239999999999995 110.715 -178.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 80.68 -174.92 54.94 Favored Glycine 0 C--N 1.341 0.86 0 O-C-N 123.761 0.663 . . . . 61.310000000000002 113.635 174.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.75 153.65 17.14 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.438 1.095 . . . . 54.109999999999999 108.686 179.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -108.58 -172.07 1.98 Allowed 'General case' 0 N--CA 1.484 1.231 0 N-CA-C 109.277 -0.638 . . . . 63.149999999999999 109.277 175.46 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.9 mppt? -114.44 145.29 42.05 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 108.433 -0.951 . . . . 71.129999999999995 108.433 174.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -126.58 78.33 1.78 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.923 0.889 . . . . 53.409999999999997 109.523 -178.581 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -81.6 123.16 28.44 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.321 -0.854 . . . . 73.019999999999996 110.524 -179.357 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 3.0 p -150.67 108.07 0.41 Allowed 'Isoleucine or valine' 0 CA--C 1.55 0.951 0 C-N-CA 124.029 0.931 . . . . 63.409999999999997 108.72 177.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.435 ' HB2' ' HG2' ' A' ' 23' ' ' MET . 27.5 p -99.65 129.57 45.8 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 123.723 0.809 . . . . 30.52 109.963 -179.528 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -83.31 1.7 88.28 Favored Glycine 0 C--N 1.347 1.151 0 C-N-CA 122.702 0.191 . . . . 60.030000000000001 113.225 178.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.435 ' HG2' ' HB2' ' A' ' 21' ' ' CYS . 27.1 ptt? -76.06 4.76 7.81 Favored 'General case' 0 N--CA 1.483 1.215 0 C-N-CA 124.183 0.993 . . . . 74.319999999999993 112.283 178.168 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 35.0 m -58.8 -26.09 31.0 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 124.109 0.963 . . . . 73.010000000000005 111.971 175.176 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 58.5 m -114.18 115.29 27.24 Favored 'General case' 0 CA--C 1.532 0.286 0 N-CA-C 108.428 -0.953 . . . . 64.549999999999997 108.428 174.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 34.7 pt -117.12 167.21 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.047 0 C-N-CA 123.579 0.752 . . . . 63.509999999999998 109.722 176.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.77 110.9 0.63 Allowed Glycine 0 CA--C 1.528 0.883 0 N-CA-C 110.152 -1.179 . . . . 54.299999999999997 110.152 177.63 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.557 ' HB2' HG12 ' A' ' 30' ' ' VAL . 24.3 Cg_exo -64.5 134.8 42.97 Favored 'Trans proline' 0 C--N 1.374 1.905 0 C-N-CA 122.684 2.256 . . . . 72.140000000000001 112.298 179.512 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -69.36 -3.53 14.53 Favored 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 124.788 1.235 . . . . 72.120000000000005 111.967 -177.264 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.557 HG12 ' HB2' ' A' ' 28' ' ' PRO . 14.1 p -52.42 -30.63 14.38 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 C-N-CA 124.491 1.116 . . . . 72.230000000000004 111.624 176.4 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 73.0 mt -60.39 -51.3 70.07 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 123.534 0.734 . . . . 63.219999999999999 109.827 176.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.1 tpt -60.69 -35.83 77.26 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.953 0.901 . . . . 73.430000000000007 111.462 177.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 66.7 t -64.5 -37.94 81.33 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.214 0 C-N-CA 123.651 0.78 . . . . 70.0 110.671 177.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -62.72 -45.89 90.64 Favored 'General case' 0 N--CA 1.479 1.0 0 CA-C-N 115.691 -0.686 . . . . 74.25 110.298 175.677 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.521 ' HA ' ' HB3' ' A' ' 38' ' ' HIS . 1.5 mptm? -70.96 -27.22 63.57 Favored 'General case' 0 N--CA 1.49 1.526 0 C-N-CA 123.353 0.661 . . . . 71.310000000000002 111.739 179.691 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.5 tpm_? -64.57 -38.16 90.05 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.561 0.745 . . . . 73.439999999999998 110.029 175.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 29.6 m -80.9 -36.09 31.65 Favored 'General case' 0 CA--C 1.549 0.912 0 CA-C-N 115.182 -0.917 . . . . 72.0 110.696 175.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.521 ' HB3' ' HA ' ' A' ' 35' ' ' LYS . 48.6 t-80 -76.66 88.21 3.33 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 123.952 0.901 . . . . 71.239999999999995 110.0 -175.044 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.6 t -156.02 169.93 23.32 Favored 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 114.867 -1.06 . . . . 74.319999999999993 109.48 -178.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 79.32 32.85 37.28 Favored Glycine 0 C--N 1.341 0.839 0 N-CA-C 112.347 -0.301 . . . . 64.129999999999995 112.347 -177.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -75.97 106.99 7.86 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 108.533 -0.914 . . . . 71.349999999999994 108.533 177.649 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -80.68 150.66 70.12 Favored Pre-proline 0 CA--C 1.542 0.671 0 C-N-CA 123.797 0.839 . . . . 64.329999999999998 111.661 -165.382 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.23 92.8 0.19 Allowed 'Trans proline' 0 C--N 1.377 2.067 0 C-N-CA 122.601 2.201 . . . . 75.340000000000003 111.152 174.355 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.451 ' HB3' HD22 ' A' ' 59' ' ' LEU . 61.1 m-85 -72.35 135.37 45.86 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-N 115.265 -0.88 . . . . 63.409999999999997 109.537 173.046 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 98.2 m-70 -126.66 132.35 51.22 Favored 'General case' 0 C--O 1.236 0.373 0 N-CA-C 108.533 -0.914 . . . . 52.329999999999998 108.533 -176.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.523 ' SG ' ' CD2' ' A' ' 62' ' ' HIS . 6.8 t -59.12 -63.82 1.16 Allowed 'General case' 0 C--O 1.242 0.685 0 C-N-CA 124.047 0.939 . . . . 63.25 111.635 -179.226 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -179.09 -173.29 0.28 Allowed 'General case' 0 N--CA 1.478 0.972 0 CA-C-N 114.076 -1.42 . . . . 75.109999999999999 107.396 -171.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 8.6 tt0 -65.53 -1.53 2.67 Favored 'General case' 0 N--CA 1.485 1.321 0 O-C-N 121.632 -0.667 . . . . 73.540000000000006 112.52 176.014 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.4 p -65.65 -17.37 64.55 Favored 'General case' 0 C--N 1.365 1.276 0 C-N-CA 123.678 0.791 . . . . 62.100000000000001 110.555 174.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 87.94 79.46 1.26 Allowed Glycine 0 C--N 1.358 1.796 0 N-CA-C 112.134 -0.386 . . . . 60.219999999999999 112.134 171.491 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.409 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -140.16 155.07 47.11 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 123.126 0.57 . . . . 61.420000000000002 111.485 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 36.4 p -132.92 127.74 34.97 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 124.489 1.115 . . . . 53.0 109.197 176.401 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' HE2' ' HB2' ' A' ' 46' ' ' CYS . 49.6 m-85 -135.78 120.7 18.63 Favored 'General case' 0 N--CA 1.472 0.632 0 C-N-CA 124.786 1.234 . . . . 74.200000000000003 108.068 -178.238 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.498 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.6 t -83.65 -11.86 56.72 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-N 118.064 0.393 . . . . 73.25 110.744 174.552 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.498 ' HG2' HG23 ' A' ' 54' ' ' THR . 80.6 mm-40 -122.99 138.8 54.59 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 123.645 0.778 . . . . 74.409999999999997 110.982 -175.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.5 pttt -64.97 -31.52 72.8 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 124.161 0.984 . . . . 74.120000000000005 111.32 179.346 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.3 -41.58 95.07 Favored Glycine 0 C--N 1.351 1.402 0 N-CA-C 112.284 -0.326 . . . . 54.530000000000001 112.284 178.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.426 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.4 m120 -69.12 -38.87 79.13 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 123.793 0.837 . . . . 51.039999999999999 110.672 177.08 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.451 HD22 ' HB3' ' A' ' 44' ' ' PHE . 35.6 tp -68.06 -56.39 9.04 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.092 0.557 . . . . 73.230000000000004 111.508 -176.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 94.6 mt -61.47 -42.07 98.21 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 124.43 1.092 . . . . 64.310000000000002 111.258 -169.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 70.3 ttt180 -65.88 -43.59 87.86 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.457 -0.792 . . . . 63.310000000000002 110.929 179.399 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.523 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 39.8 t60 -70.18 -52.5 22.87 Favored 'General case' 0 CA--C 1.547 0.853 0 O-C-N 123.65 0.594 . . . . 75.120000000000005 111.619 -174.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.424 ' O ' ' HE3' ' A' ' 70' ' ' LYS . 29.7 pt -62.33 -28.07 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.22 0 C-N-CA 123.467 0.707 . . . . 65.450000000000003 111.086 -175.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.611 ' HA ' ' HD2' ' A' ' 70' ' ' LYS . 35.5 ttpt -61.99 -40.93 97.33 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 123.559 0.743 . . . . 71.5 110.686 177.45 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.2 mt -68.82 -13.17 62.24 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.189 0.995 . . . . 75.510000000000005 112.715 -174.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.507 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.4 m-70 -62.76 -41.1 99.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.968 0.507 . . . . 74.209999999999994 110.822 171.452 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.5 m -117.14 21.16 13.37 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.504 0.722 . . . . 55.240000000000002 110.709 -179.436 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 77.55 -80.24 1.32 Allowed Glycine 0 C--N 1.35 1.326 0 CA-C-N 116.108 -0.496 . . . . 74.439999999999998 112.0 -178.418 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 75.3 mm-40 -125.31 27.34 6.62 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.34 1.056 . . . . 65.120000000000005 110.36 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.611 ' HD2' ' HA ' ' A' ' 64' ' ' LYS . 0.1 OUTLIER 68.76 173.63 0.09 OUTLIER Pre-proline 0 N--CA 1.496 1.873 0 C-N-CA 124.131 0.972 . . . . 71.120000000000005 110.018 -173.83 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 57.6 Cg_exo -48.46 111.7 0.49 Allowed 'Trans proline' 0 C--N 1.386 2.551 0 C-N-CA 122.187 1.925 . . . . 73.420000000000002 112.432 165.279 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 48.5 p90 -64.28 -26.16 68.37 Favored 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 114.96 -1.018 . . . . 54.119999999999997 111.759 -176.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm . . . . . 0 C--O 1.252 1.192 0 C-N-CA 124.458 1.103 . . . . 61.119999999999997 108.509 177.888 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.479 1.001 0 N-CA-C 109.217 -0.66 . . . . 72.109999999999999 109.217 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.24 155.64 19.84 Favored Glycine 0 C--N 1.348 1.216 0 CA-C-N 116.197 -0.456 . . . . 42.439999999999998 113.311 178.522 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.0 p-80 -160.23 156.34 26.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.374 1.07 . . . . 65.140000000000001 109.696 178.525 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 59.1 t-80 60.51 88.38 0.08 Allowed 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 124.865 1.266 . . . . 73.530000000000001 111.479 178.01 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.8 t60 -144.62 99.3 3.33 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 109.574 -0.528 . . . . 74.409999999999997 109.574 179.597 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -138.04 122.49 18.39 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 108.7 -0.852 . . . . 54.310000000000002 108.7 179.102 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.8 t60 -144.24 108.79 4.87 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.36 0.664 . . . . 75.219999999999999 109.76 -178.032 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.7 m80 -151.9 126.69 9.6 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.615 1.166 . . . . 63.32 108.235 170.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 44.3 t -143.14 100.57 3.66 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.253 0.621 . . . . 72.120000000000005 109.679 -179.16 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 34.9 t60 -146.09 135.5 23.0 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.499 -0.926 . . . . 75.209999999999994 108.499 176.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 65.6 mtt -117.84 111.46 39.21 Favored Pre-proline 0 CA--C 1.551 0.993 0 C-N-CA 123.645 0.778 . . . . 75.420000000000002 110.55 -175.015 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 35.7 Cg_exo -61.86 114.0 2.1 Favored 'Trans proline' 0 C--N 1.385 2.474 0 C-N-CA 122.737 2.291 . . . . 72.450000000000003 112.553 174.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.7 p-10 -137.34 154.27 50.07 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 123.813 0.845 . . . . 71.340000000000003 110.666 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 161.9 72.4 0.02 OUTLIER Glycine 0 C--N 1.342 0.916 0 CA-C-N 116.164 -0.471 . . . . 64.010000000000005 112.123 179.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -88.75 142.83 27.34 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 123.622 0.769 . . . . 72.030000000000001 109.495 172.174 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.1 tt -172.69 143.46 1.29 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 124.558 1.143 . . . . 64.129999999999995 108.446 -171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -154.51 98.37 2.09 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.374 0.67 . . . . 74.430000000000007 109.679 177.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 17.5 p -166.65 91.67 0.43 Allowed 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.98 0.912 . . . . 63.409999999999997 109.588 -179.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -150.62 104.95 3.25 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.459 0.704 . . . . 73.430000000000007 109.466 -176.624 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.7 m -100.39 164.78 2.65 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.053 0 C-N-CA 123.988 0.915 . . . . 60.32 110.953 178.247 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.9 p -160.23 128.87 4.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.675 0.79 . . . . 73.5 109.965 -179.687 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 90.57 25.4 25.69 Favored Glycine 0 C--N 1.348 1.243 0 CA-C-N 116.436 -0.347 . . . . 13.35 112.774 -179.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.504 ' HG2' HG23 ' A' ' 24' ' ' VAL . 46.9 ttm -82.16 136.9 35.07 Favored 'General case' 0 N--CA 1.481 1.11 0 N-CA-C 109.052 -0.722 . . . . 71.230000000000004 109.052 173.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.504 HG23 ' HG2' ' A' ' 23' ' ' MET . 58.0 t 61.8 80.61 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.552 1.05 0 C-N-CA 124.232 1.013 . . . . 61.130000000000003 110.576 -177.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 43.5 t -169.54 79.5 0.11 Allowed 'General case' 0 C--O 1.242 0.677 0 C-N-CA 123.852 0.861 . . . . 73.209999999999994 109.316 176.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -159.87 130.17 0.82 Allowed 'Isoleucine or valine' 0 C--O 1.247 0.933 0 CA-C-N 115.272 -0.877 . . . . 74.340000000000003 108.948 172.196 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.36 136.97 6.17 Favored Glycine 0 C--N 1.336 0.538 0 CA-C-O 118.013 -1.437 . . . . 72.540000000000006 109.799 177.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.9 Cg_exo -49.81 111.2 0.46 Allowed 'Trans proline' 0 C--N 1.374 1.88 0 C-N-CA 123.19 2.593 . . . . 52.420000000000002 113.879 -178.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 t-20 -65.22 -24.21 67.28 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.984 0.913 . . . . 70.349999999999994 110.483 175.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.8 p -70.47 -32.99 51.84 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.107 0 C-N-CA 123.453 0.701 . . . . 73.299999999999997 110.873 174.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 62.1 tp -69.07 -36.85 78.1 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.462 0.705 . . . . 73.540000000000006 109.719 173.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 17.5 ttp -61.51 -52.02 66.23 Favored 'General case' 0 N--CA 1.476 0.852 0 O-C-N 124.024 0.828 . . . . 74.209999999999994 111.513 178.041 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.1 p -72.97 -31.34 35.26 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 CA-C-N 116.361 -0.381 . . . . 70.219999999999999 110.96 -176.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 16.6 t60 -57.27 -47.74 80.66 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 123.048 0.539 . . . . 74.319999999999993 109.887 172.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 59.8 tttp -60.24 -47.71 84.84 Favored 'General case' 0 C--N 1.346 0.439 0 CA-C-N 114.589 -1.187 . . . . 75.510000000000005 110.31 178.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 14.6 mmt180 -71.09 -23.07 62.04 Favored 'General case' 0 CA--C 1.548 0.894 0 O-C-N 123.651 0.595 . . . . 71.099999999999994 112.546 -175.328 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 71.1 m -75.72 -33.81 60.32 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 122.763 0.425 . . . . 54.299999999999997 110.774 173.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 t-80 -89.13 -24.8 22.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.917 0.487 . . . . 43.240000000000002 111.775 -174.433 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.2 p -70.35 95.18 1.0 Allowed 'General case' 0 CA--C 1.543 0.681 0 N-CA-C 109.602 -0.518 . . . . 74.239999999999995 109.602 177.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 86.29 -55.26 4.74 Favored Glycine 0 C--N 1.343 0.924 0 CA-C-N 115.699 -0.682 . . . . 61.329999999999998 113.121 179.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 2.3 tm-20 57.22 78.09 0.24 Allowed 'General case' 0 CA--C 1.549 0.94 0 C-N-CA 124.155 0.982 . . . . 73.030000000000001 108.606 -171.267 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.57 ' HD3' ' H ' ' A' ' 42' ' ' ARG . 0.0 OUTLIER -115.35 102.89 54.57 Favored Pre-proline 0 CA--C 1.549 0.917 0 CA-C-N 114.657 -1.156 . . . . 61.509999999999998 109.609 -173.906 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -72.05 91.09 0.74 Allowed 'Trans proline' 0 C--N 1.373 1.865 0 C-N-CA 122.201 1.934 . . . . 75.530000000000001 111.442 -178.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 83.2 m-85 -58.36 123.74 17.15 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 115.332 -0.849 . . . . 71.409999999999997 109.682 -179.214 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 74.1 m80 -85.73 140.64 30.33 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 107.37 -1.344 . . . . 54.140000000000001 107.37 179.346 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.874 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.6 t -63.1 -64.28 0.96 Allowed 'General case' 0 N--CA 1.469 0.516 0 O-C-N 124.469 1.105 . . . . 71.519999999999996 110.95 -177.45 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 23.1 t-20 -178.0 -60.19 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 124.008 0.923 . . . . 72.040000000000006 109.642 177.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.2 tp60 -147.62 -23.48 0.37 Allowed 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.475 0.71 . . . . 71.439999999999998 110.919 -175.113 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.711 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 18.3 p -75.29 12.98 0.8 Allowed 'General case' 0 CA--C 1.553 1.065 0 N-CA-C 113.956 1.095 . . . . 74.329999999999998 113.956 -171.86 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 84.77 -28.18 4.56 Favored Glycine 0 C--N 1.348 1.227 0 N-CA-C 114.67 0.628 . . . . 61.210000000000001 114.67 169.189 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.7 141.74 55.22 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.303 0.641 . . . . 74.420000000000002 112.162 -176.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 57.0 p -145.6 127.88 15.81 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 115.409 -0.814 . . . . 73.239999999999995 110.037 179.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 m-85 -137.47 125.57 22.96 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.072 -0.714 . . . . 64.319999999999993 109.072 -174.588 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 15.4 t -76.29 -21.49 56.2 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.831 -0.433 . . . . 73.109999999999999 109.831 171.53 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 81.8 mm-40 -89.3 113.88 25.2 Favored 'General case' 0 C--O 1.24 0.569 0 C-N-CA 123.621 0.769 . . . . 70.349999999999994 109.259 176.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.402 ' HA ' ' HB3' ' A' ' 59' ' ' LEU . 22.0 pttp -65.88 -19.7 65.97 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.478 0.711 . . . . 72.239999999999995 111.429 178.887 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.96 -42.17 99.72 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 111.928 -0.469 . . . . 72.319999999999993 111.928 171.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -75.6 -41.27 54.94 Favored 'General case' 0 CA--C 1.545 0.775 0 C-N-CA 123.548 0.739 . . . . 72.540000000000006 110.574 176.623 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.402 ' HB3' ' HA ' ' A' ' 56' ' ' LYS . 31.0 tp -61.17 -55.47 31.9 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.912 0.757 . . . . 62.549999999999997 111.346 -176.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -60.06 -34.24 73.15 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.646 0.778 . . . . 73.109999999999999 111.577 -177.087 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -66.02 -48.92 69.56 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 123.324 0.65 . . . . 74.140000000000001 110.014 178.233 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 59.9 t60 -69.38 -51.16 39.28 Favored 'General case' 0 CA--C 1.548 0.87 0 O-C-N 123.516 0.51 . . . . 62.229999999999997 112.247 -176.235 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.579 HG22 ' SG ' ' A' ' 46' ' ' CYS . 29.2 pt -60.64 -33.36 54.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 O-C-N 123.258 0.349 . . . . 71.230000000000004 110.192 -175.461 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.409 ' HG2' ' HB2' ' A' ' 70' ' ' LYS . 33.1 ttpt -56.14 -41.85 76.03 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 125.111 1.364 . . . . 75.120000000000005 112.251 177.57 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 45.9 mt -53.99 -47.22 71.66 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.978 0.799 . . . . 72.230000000000004 111.306 -175.391 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.491 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 13.8 p80 -107.19 5.48 27.79 Favored 'General case' 0 C--O 1.248 1.024 0 C-N-CA 123.848 0.859 . . . . 71.120000000000005 112.199 -177.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 41.5 t -61.36 -34.57 75.52 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 122.952 0.501 . . . . 73.5 110.916 176.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 171.92 45.27 0.04 OUTLIER Glycine 0 C--N 1.337 0.6 0 CA-C-N 115.847 -0.615 . . . . 71.319999999999993 111.64 175.709 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 58.61 83.47 0.12 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.827 0.851 . . . . 71.209999999999994 110.5 -177.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.409 ' HB2' ' HG2' ' A' ' 64' ' ' LYS . 99.5 mttt -121.74 158.73 53.58 Favored Pre-proline 0 N--CA 1.476 0.858 0 C-N-CA 123.529 0.732 . . . . 71.530000000000001 110.65 -176.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 10.1 Cg_endo -51.02 119.68 5.69 Favored 'Trans proline' 0 C--N 1.39 2.739 0 C-N-CA 123.586 2.857 . . . . 70.310000000000002 112.707 179.446 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 92.4 t80 -49.44 -60.15 3.1 Favored 'General case' 0 C--O 1.243 0.717 0 C-N-CA 125.159 1.384 . . . . 74.019999999999996 112.71 -172.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.601 ' HD3' ' H ' ' A' ' 73' ' ' LYS . 0.0 OUTLIER . . . . . 0 CA--C 1.563 1.454 0 O-C-N 123.841 0.713 . . . . 62.399999999999999 112.129 176.525 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.874 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 55.6 ttm . . . . . 0 N--CA 1.477 0.893 0 N-CA-C 109.537 -0.542 . . . . 62.420000000000002 109.537 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.94 97.08 0.12 Allowed Glycine 0 C--N 1.344 0.994 0 N-CA-C 110.932 -0.867 . . . . 61.25 110.932 -175.043 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 96.6 m-70 -142.56 144.95 33.12 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.734 1.213 . . . . 71.049999999999997 109.027 -178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 42.3 p-80 -152.16 146.54 25.55 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.343 0.657 . . . . 54.310000000000002 110.437 177.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.2 p-80 -109.38 117.18 33.37 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 123.532 0.733 . . . . 63.009999999999998 109.378 173.194 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 56.7 t-80 -149.18 88.91 1.61 Allowed 'General case' 0 N--CA 1.468 0.443 0 N-CA-C 108.716 -0.846 . . . . 74.299999999999997 108.716 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -78.79 116.63 19.26 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.474 -0.784 . . . . 63.43 110.213 -176.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 51.5 t-80 -117.66 89.51 3.13 Favored 'General case' 0 N--CA 1.468 0.457 0 N-CA-C 108.113 -1.069 . . . . 73.230000000000004 108.113 177.286 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.4 p -89.43 90.46 8.31 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.642 0.777 . . . . 42.43 111.38 -174.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -84.52 86.83 7.25 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.323 1.049 . . . . 75.319999999999993 108.453 174.76 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 52.4 ttm -128.04 108.6 19.95 Favored Pre-proline 0 N--CA 1.479 1.003 0 C-N-CA 123.649 0.78 . . . . 72.010000000000005 111.158 -172.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.6 Cg_endo -85.45 121.7 2.29 Favored 'Trans proline' 0 C--N 1.375 1.973 0 C-N-CA 122.824 2.349 . . . . 74.540000000000006 112.687 175.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -149.86 139.37 21.54 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 108.996 -0.742 . . . . 72.109999999999999 108.996 174.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -139.68 109.38 0.63 Allowed Glycine 0 C--N 1.338 0.686 0 N-CA-C 110.794 -0.922 . . . . 53.439999999999998 110.794 -179.543 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -81.29 115.26 20.58 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.397 0.679 . . . . 73.450000000000003 109.313 174.278 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -154.95 145.93 22.63 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.458 0.703 . . . . 75.310000000000002 110.097 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -166.65 116.52 0.91 Allowed 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.372 0.669 . . . . 75.140000000000001 110.802 177.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 27.0 p -122.67 143.12 49.99 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.051 0.94 . . . . 51.240000000000002 109.685 172.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -126.4 153.99 44.22 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.739 0.816 . . . . 74.530000000000001 108.991 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.8 m -67.49 -21.0 27.13 Favored 'Isoleucine or valine' 0 CA--C 1.556 1.177 0 C-N-CA 123.308 0.643 . . . . 62.210000000000001 112.086 -177.288 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.8 m 71.06 -66.25 0.3 Allowed 'General case' 0 N--CA 1.485 1.293 0 C-N-CA 125.83 1.652 . . . . 52.310000000000002 112.366 172.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -79.61 57.82 4.48 Favored Glycine 0 CA--C 1.534 1.28 0 C-N-CA 123.257 0.456 . . . . 52.350000000000001 112.554 174.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 56.3 ttm -86.0 107.62 17.85 Favored 'General case' 0 C--N 1.352 0.694 0 N-CA-C 108.255 -1.017 . . . . 71.310000000000002 108.255 176.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 45.7 t 55.52 84.77 0.05 OUTLIER 'Isoleucine or valine' 0 CA--C 1.554 1.1 0 O-C-N 124.248 0.968 . . . . 73.010000000000005 109.863 -171.622 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 50.4 t -145.06 75.47 1.45 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.429 0.692 . . . . 63.210000000000001 109.52 -172.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 39.3 pt -129.36 157.24 42.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 C-N-CA 124.246 1.019 . . . . 75.140000000000001 110.399 179.229 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.48 77.55 0.03 OUTLIER Glycine 0 CA--C 1.531 1.067 0 CA-C-N 115.649 -0.705 . . . . 65.530000000000001 111.527 178.36 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 3.6 Cg_exo -75.88 174.19 13.23 Favored 'Trans proline' 0 C--N 1.377 2.035 0 C-N-CA 123.209 2.606 . . . . 74.200000000000003 112.4 -178.651 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 43.4 t-20 -81.83 80.06 8.22 Favored 'General case' 0 CA--C 1.546 0.82 0 CA-C-O 121.463 0.649 . . . . 74.530000000000001 110.111 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 32.8 m -70.4 -26.21 28.53 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.034 0 C-N-CA 123.969 0.908 . . . . 54.240000000000002 111.231 178.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 88.2 mt -65.73 -48.63 71.3 Favored 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 123.928 0.891 . . . . 72.230000000000004 112.112 -175.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -65.57 -45.9 81.54 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.294 0.638 . . . . 63.43 112.181 -175.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.3 p -63.85 -42.19 95.04 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.203 0 C-N-CA 122.714 0.406 . . . . 73.019999999999996 111.783 -174.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -65.18 -48.31 73.89 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 122.715 0.406 . . . . 74.549999999999997 110.492 176.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 56.8 tptt -60.21 -49.64 76.82 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 115.374 -0.83 . . . . 74.219999999999999 111.043 -176.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.54 -38.2 83.72 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.969 0.908 . . . . 73.230000000000004 110.369 -178.628 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 74.8 m -62.99 -42.13 99.76 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 123.386 0.674 . . . . 65.239999999999995 111.288 178.68 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 31.2 m170 -79.16 78.58 5.63 Favored 'General case' 0 N--CA 1.479 1.015 0 CA-C-O 121.271 0.558 . . . . 45.509999999999998 110.562 -175.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 34.3 p -77.58 93.31 4.17 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 123.794 0.837 . . . . 72.140000000000001 110.116 179.568 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -103.98 135.97 12.72 Favored Glycine 0 C--N 1.346 1.13 0 CA-C-O 119.121 -0.822 . . . . 72.219999999999999 111.385 -179.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -60.1 124.52 20.48 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-N 117.459 0.63 . . . . 74.109999999999999 109.694 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -55.45 140.78 64.65 Favored Pre-proline 0 CA--C 1.55 0.969 0 C-N-CA 124.917 1.287 . . . . 74.5 111.114 -175.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -61.55 91.68 0.11 Allowed 'Trans proline' 0 C--N 1.374 1.873 0 C-N-CA 121.434 1.423 . . . . 61.340000000000003 110.411 167.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.618 ' HB3' HD22 ' A' ' 59' ' ' LEU . 58.5 m-85 -66.43 87.82 0.12 Allowed 'General case' 0 CA--C 1.539 0.528 0 CA-C-N 114.28 -1.327 . . . . 63.240000000000002 111.108 -178.731 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -105.28 143.52 33.34 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.544 0.738 . . . . 74.140000000000001 110.541 -178.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.834 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 2.6 t -97.33 114.32 26.09 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 106.98 -1.489 . . . . 61.219999999999999 106.98 172.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -56.36 -75.88 0.04 OUTLIER 'General case' 0 N--CA 1.491 1.612 0 C-N-CA 124.774 1.23 . . . . 73.030000000000001 113.948 -163.202 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -80.31 4.31 18.2 Favored 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 112.747 0.647 . . . . 64.019999999999996 112.747 -174.172 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 15.4 m -83.18 -36.69 24.5 Favored 'General case' 0 N--CA 1.474 0.741 0 N-CA-C 109.221 -0.659 . . . . 52.119999999999997 109.221 167.787 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 73.29 35.47 56.69 Favored Glycine 0 C--N 1.348 1.231 0 CA-C-N 114.743 -1.117 . . . . 63.420000000000002 111.895 -174.234 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -120.98 104.0 9.48 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.795 0.838 . . . . 74.219999999999999 109.041 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.1 t -105.76 128.79 53.92 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 123.585 0.754 . . . . 50.0 110.283 -172.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 m-85 -123.72 139.22 54.21 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.685 0.794 . . . . 73.209999999999994 109.831 -176.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -80.72 -16.33 54.17 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 122.726 0.41 . . . . 74.340000000000003 111.196 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 54.9 mm-40 -126.43 146.57 50.03 Favored 'General case' 0 N--CA 1.478 0.925 0 CA-C-O 121.993 0.901 . . . . 65.129999999999995 112.559 -175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.4 pttm -57.23 -39.6 75.86 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 112.782 -2.008 . . . . 74.349999999999994 111.898 176.289 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.13 -36.94 69.85 Favored Glycine 0 C--N 1.352 1.445 0 O-C-N 123.622 0.576 . . . . 65.219999999999999 113.769 -176.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 63.6 m-20 -80.64 -37.73 30.48 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.388 0.675 . . . . 74.019999999999996 111.025 -178.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.618 HD22 ' HB3' ' A' ' 44' ' ' PHE . 22.7 tp -63.24 -52.2 63.11 Favored 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 122.543 0.337 . . . . 74.439999999999998 110.42 178.459 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 95.3 mt -58.66 -29.67 66.75 Favored 'General case' 0 N--CA 1.478 0.929 0 C-N-CA 124.634 1.174 . . . . 72.329999999999998 111.707 -176.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.42 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 45.3 ttm180 -68.92 -54.78 13.56 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 123.627 0.579 . . . . 73.5 109.871 172.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -59.71 -49.65 76.91 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 125.159 1.384 . . . . 73.030000000000001 112.474 -172.223 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.43 HG13 ' HE2' ' A' ' 70' ' ' LYS . 28.3 pt -68.98 -25.96 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.145 0 C-N-CA 123.648 0.779 . . . . 54.109999999999999 111.423 -178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.511 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 25.9 ttpt -74.58 -39.62 62.12 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.119 0.568 . . . . 72.439999999999998 110.499 173.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 70.8 mt -68.0 -24.78 65.16 Favored 'General case' 0 N--CA 1.488 1.462 0 C-N-CA 123.116 0.566 . . . . 75.409999999999997 110.915 179.445 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 21.3 m-70 -59.71 -41.82 91.66 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.311 0.644 . . . . 75.530000000000001 110.603 168.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 36.6 t 71.78 141.03 0.05 Allowed 'General case' 0 N--CA 1.482 1.172 0 C-N-CA 125.036 1.334 . . . . 75.439999999999998 112.302 175.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.26 -36.42 4.14 Favored Glycine 0 N--CA 1.476 1.348 0 N-CA-C 112.119 -0.392 . . . . 45.509999999999998 112.119 -176.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 5.0 mp0 -59.97 -33.02 71.38 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.114 0.966 . . . . 60.439999999999998 110.972 172.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.511 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 3.9 mptp? -103.93 143.21 26.2 Favored Pre-proline 0 C--O 1.237 0.433 0 CA-C-N 114.602 -1.181 . . . . 74.5 108.394 175.696 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.4 Cg_endo -69.09 162.35 42.1 Favored 'Trans proline' 0 C--N 1.371 1.732 0 C-N-CA 122.404 2.069 . . . . 75.540000000000006 111.015 170.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 35.8 t80 63.14 72.68 0.48 Allowed 'General case' 0 CA--C 1.546 0.818 0 O-C-N 124.393 1.058 . . . . 73.230000000000004 109.612 -170.297 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 70.7 mmtt . . . . . 0 CA--C 1.566 1.59 0 C-N-CA 125.542 1.537 . . . . 65.329999999999998 111.971 173.813 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.834 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.3 mtt . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 108.98 -0.748 . . . . 70.420000000000002 108.98 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -158.07 101.45 0.2 Allowed Glycine 0 C--N 1.345 1.034 0 N-CA-C 111.592 -0.603 . . . . 53.329999999999998 111.592 -174.765 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -84.4 -19.06 34.16 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.233 0.613 . . . . 72.120000000000005 110.269 179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -62.41 105.95 0.69 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.211 0.605 . . . . 72.040000000000006 110.809 -178.445 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.7 t60 -143.26 80.92 1.69 Allowed 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.012 -1.107 . . . . 71.420000000000002 108.012 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -133.89 98.62 4.21 Favored 'General case' 0 C--O 1.235 0.323 0 C-N-CA 124.12 0.968 . . . . 71.340000000000003 108.645 179.003 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -100.07 115.59 30.12 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 107.792 -1.188 . . . . 70.409999999999997 107.792 170.361 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 54.1 t-80 -136.05 -31.08 0.93 Allowed 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 123.553 0.741 . . . . 73.409999999999997 109.529 176.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.9 m 58.49 -98.29 0.08 Allowed 'General case' 0 CA--C 1.548 0.9 0 C-N-CA 125.146 1.378 . . . . 70.319999999999993 112.416 176.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 9.6 p-80 178.95 43.87 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.827 0 C-N-CA 123.124 0.57 . . . . 73.420000000000002 111.161 -174.306 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 48.0 ttm -120.76 86.39 40.75 Favored Pre-proline 0 N--CA 1.491 1.601 0 O-C-N 121.437 -0.789 . . . . 55.5 110.792 -177.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 70.4 Cg_endo -99.93 97.04 0.05 OUTLIER 'Trans proline' 0 C--N 1.377 2.037 0 C-N-CA 123.941 3.094 . . . . 75.329999999999998 112.581 174.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -101.26 148.72 24.79 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 122.674 0.389 . . . . 74.129999999999995 110.907 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 172.2 51.33 0.04 OUTLIER Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.315 1.009 . . . . 75.109999999999999 110.712 -176.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 62.8 tttp -122.27 -36.02 3.03 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 124.072 0.949 . . . . 65.140000000000001 110.7 -174.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -76.47 120.05 21.16 Favored 'General case' 0 CA--C 1.55 0.949 0 CA-C-N 115.837 -0.619 . . . . 75.430000000000007 110.181 -175.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -135.99 145.1 45.77 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.834 0.854 . . . . 72.239999999999995 109.293 176.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 66.1 m -126.24 162.63 25.0 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.019 0.928 . . . . 74.239999999999995 110.286 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -149.71 128.89 12.78 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 122.926 0.49 . . . . 62.409999999999997 110.302 179.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 14.9 p -155.36 146.79 12.87 Favored 'Isoleucine or valine' 0 C--O 1.242 0.662 0 C-N-CA 123.451 0.7 . . . . 74.109999999999999 109.203 176.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 46.9 t -162.05 150.78 15.27 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.657 0.783 . . . . 62.310000000000002 109.795 174.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -178.81 157.92 21.82 Favored Glycine 0 C--N 1.345 1.076 0 CA-C-N 116.511 -0.313 . . . . 55.43 113.437 176.73 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 16.3 tpt -156.84 108.46 2.42 Favored 'General case' 0 N--CA 1.476 0.848 0 N-CA-C 108.042 -1.095 . . . . 74.439999999999998 108.042 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 34.7 m -98.79 158.89 3.47 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 123.426 0.691 . . . . 42.409999999999997 111.916 -175.309 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 64.7 m -97.33 141.16 30.76 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.229 1.012 . . . . 73.140000000000001 110.183 175.172 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . 0.421 HG12 ' HD3' ' A' ' 28' ' ' PRO . 13.9 tt -153.99 135.78 5.86 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 C-N-CA 123.994 0.918 . . . . 74.319999999999993 108.729 174.813 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -168.53 72.15 0.14 Allowed Glycine 0 C--N 1.339 0.726 0 N-CA-C 109.834 -1.306 . . . . 74.129999999999995 109.834 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.421 ' HD3' HG12 ' A' ' 26' ' ' ILE . 55.4 Cg_endo -66.26 150.17 84.87 Favored 'Trans proline' 0 C--N 1.378 2.131 0 C-N-CA 122.811 2.341 . . . . 50.549999999999997 112.712 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m120 -75.53 -1.96 26.74 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.381 0.673 . . . . 73.040000000000006 111.855 -177.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 13.1 p -62.31 -31.65 52.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.244 0.617 . . . . 62.009999999999998 110.325 169.386 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 70.5 mt -72.61 -40.02 66.84 Favored 'General case' 0 C--O 1.24 0.584 0 C-N-CA 124.081 0.953 . . . . 75.409999999999997 110.273 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.0 ttt -65.71 -50.27 65.48 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.032 -0.986 . . . . 51.340000000000003 111.261 -178.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 12.5 p -69.53 -29.78 42.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.789 0 CA-C-N 115.69 -0.687 . . . . 75.510000000000005 110.822 -178.328 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 15.3 t60 -61.77 -51.04 69.93 Favored 'General case' 0 N--CA 1.477 0.897 0 O-C-N 123.378 0.424 . . . . 74.409999999999997 110.522 175.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.415 ' O ' ' HB ' ' A' ' 39' ' ' THR . 59.3 mttp -71.33 -26.61 62.91 Favored 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 115.839 -0.619 . . . . 72.519999999999996 111.373 179.77 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 6.2 tmm_? -70.78 -52.17 22.31 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 109.388 -0.597 . . . . 75.530000000000001 109.388 178.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 19.3 m -78.51 -26.5 45.89 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 124.02 0.928 . . . . 75.450000000000003 111.752 -173.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -134.56 96.01 3.48 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 123.52 0.728 . . . . 74.120000000000005 109.469 -178.042 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.415 ' HB ' ' O ' ' A' ' 35' ' ' LYS . 14.1 t -153.65 174.6 14.27 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 124.071 0.949 . . . . 71.510000000000005 109.797 174.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -167.67 170.54 41.81 Favored Glycine 0 C--O 1.241 0.559 0 N-CA-C 111.134 -0.786 . . . . 73.540000000000006 111.134 176.17 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.9 mt-10 -79.76 72.11 6.45 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-O 121.899 0.857 . . . . 63.32 108.979 175.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 87.8 mtm180 -72.19 149.41 91.82 Favored Pre-proline 0 CA--C 1.539 0.552 0 CA-C-N 114.028 -1.442 . . . . 74.519999999999996 109.804 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 59.3 Cg_endo -68.99 4.72 1.71 Allowed 'Trans proline' 0 C--N 1.375 1.969 0 C-N-CA 123.232 2.622 . . . . 55.219999999999999 113.72 -177.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.58 ' HA ' HD22 ' A' ' 59' ' ' LEU . 94.1 m-85 -80.6 12.4 3.13 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 123.948 0.899 . . . . 62.450000000000003 111.797 174.47 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 45.3 p-80 -90.2 149.17 22.52 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 109.4 -0.593 . . . . 53.310000000000002 109.4 172.31 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 38.3 t -66.66 104.05 1.22 Allowed 'General case' 0 CA--C 1.535 0.379 0 C-N-CA 124.095 0.958 . . . . 74.349999999999994 110.26 175.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 29.1 t-20 -76.92 78.95 3.49 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 108.775 -0.824 . . . . 64.340000000000003 108.775 174.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -178.72 -38.91 0.01 OUTLIER 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 125.266 1.426 . . . . 63.439999999999998 109.234 -179.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 24.6 p -132.53 -10.89 3.17 Favored 'General case' 0 N--CA 1.481 1.119 0 N-CA-C 112.543 0.571 . . . . 44.0 112.543 -177.381 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.66 20.78 77.98 Favored Glycine 0 CA--C 1.537 1.414 0 O-C-N 123.295 0.372 . . . . 62.240000000000002 114.021 -179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -73.84 103.42 4.36 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.638 -0.504 . . . . 75.209999999999994 109.638 177.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 59.2 p -74.46 128.3 35.21 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 123.82 0.848 . . . . 65.209999999999994 111.813 -173.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -125.88 177.96 6.01 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.744 0.817 . . . . 63.299999999999997 109.352 170.725 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.618 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.3 t -124.87 -13.5 6.89 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.975 0.91 . . . . 45.130000000000003 110.163 176.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.618 ' HG2' HG23 ' A' ' 54' ' ' THR . 84.7 mm-40 -119.63 141.91 48.9 Favored 'General case' 0 C--O 1.242 0.69 0 C-N-CA 123.705 0.802 . . . . 73.129999999999995 110.264 -173.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 24.3 pttm -67.26 -28.56 68.14 Favored 'General case' 0 C--O 1.217 -0.635 0 C-N-CA 123.936 0.894 . . . . 74.450000000000003 110.949 177.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -63.4 -47.9 83.34 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.729 -0.548 . . . . 51.240000000000002 111.729 178.513 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 72.1 m-20 -70.24 -36.65 74.62 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.177 0.591 . . . . 70.209999999999994 110.803 179.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.58 HD22 ' HA ' ' A' ' 44' ' ' PHE . 53.3 tp -66.88 -53.28 33.88 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.269 0.628 . . . . 64.099999999999994 111.443 -178.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.7 mt -63.29 -37.51 87.55 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.506 0.722 . . . . 71.5 110.863 -177.533 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 28.1 ttm180 -57.67 -52.27 66.1 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 123.977 0.798 . . . . 73.219999999999999 109.797 173.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 27.2 t60 -65.54 -47.7 74.98 Favored 'General case' 0 CA--C 1.546 0.795 0 CA-C-N 115.065 -0.971 . . . . 71.209999999999994 112.114 -172.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.2 pt -66.56 -26.22 36.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.281 0 C-N-CA 122.681 0.393 . . . . 75.140000000000001 111.124 -179.171 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.439 ' O ' ' HD3' ' A' ' 70' ' ' LYS . 34.8 ttpt -65.87 -39.03 90.32 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.919 0.887 . . . . 64.219999999999999 109.96 174.766 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' O ' ' HA ' ' A' ' 69' ' ' GLU . 10.7 mp -58.83 -36.17 74.1 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.974 0.509 . . . . 73.099999999999994 110.864 172.134 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 95.4 m-70 -70.27 -35.71 73.93 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.53 0.332 . . . . 52.039999999999999 110.323 174.391 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.2 m -81.87 88.1 6.35 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.366 0.666 . . . . 51.509999999999998 111.131 -177.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 79.51 9.75 86.57 Favored Glycine 0 N--CA 1.475 1.236 0 CA-C-N 116.101 -0.5 . . . . 60.0 114.117 174.21 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.435 ' HA ' ' O ' ' A' ' 65' ' ' LEU . 39.6 mt-10 67.47 108.64 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.56 0 C-N-CA 124.598 1.159 . . . . 61.219999999999999 112.066 174.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.439 ' HD3' ' O ' ' A' ' 64' ' ' LYS . 14.1 mptt -106.18 134.92 19.55 Favored Pre-proline 0 N--CA 1.484 1.274 0 C-N-CA 123.463 0.705 . . . . 52.32 109.259 173.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -72.87 158.19 50.4 Favored 'Trans proline' 0 C--N 1.381 2.251 0 C-N-CA 123.252 2.634 . . . . 74.209999999999994 112.912 -172.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 25.2 p90 -72.35 -22.2 61.19 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.581 0.752 . . . . 72.420000000000002 110.243 171.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 27.0 mtpp . . . . . 0 C--O 1.25 1.09 0 C-N-CA 124.078 0.951 . . . . 73.329999999999998 109.714 179.103 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.8 mpp? . . . . . 0 N--CA 1.477 0.924 0 N-CA-C 109.663 -0.495 . . . . 74.140000000000001 109.663 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.01 175.47 17.25 Favored Glycine 0 C--N 1.352 1.45 0 CA-C-N 116.22 -0.445 . . . . 55.350000000000001 112.378 -177.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 23.6 m80 -140.51 -160.08 1.03 Allowed 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.646 1.178 . . . . 74.230000000000004 108.736 176.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 19.9 m-70 69.06 23.36 6.56 Favored 'General case' 0 C--N 1.364 1.211 0 C-N-CA 124.574 1.15 . . . . 75.299999999999997 111.62 175.433 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 p-80 -63.13 136.75 57.95 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 122.77 0.428 . . . . 50.340000000000003 110.288 178.055 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 m170 67.59 84.61 0.15 Allowed 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 124.438 1.095 . . . . 73.299999999999997 110.282 -177.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.18 97.92 3.33 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-O 121.455 0.645 . . . . 64.0 109.543 178.498 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.4 p80 -155.7 127.92 7.66 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.246 -0.649 . . . . 72.129999999999995 109.246 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.1 t -159.24 168.38 26.64 Favored 'General case' 0 C--O 1.24 0.575 0 C-N-CA 124.009 0.924 . . . . 74.340000000000003 109.194 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -151.07 178.21 9.42 Favored 'General case' 0 N--CA 1.476 0.871 0 CA-C-O 120.955 0.407 . . . . 72.150000000000006 110.287 -178.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . 0.443 ' N ' ' SD ' ' A' ' 11' ' ' MET . 1.3 mpt? -85.56 140.49 35.95 Favored Pre-proline 0 CA--C 1.553 1.058 0 C-N-CA 123.865 0.866 . . . . 65.239999999999995 110.029 -179.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_exo -56.91 125.62 19.6 Favored 'Trans proline' 0 C--N 1.376 2.002 0 C-N-CA 123.61 2.873 . . . . 73.310000000000002 113.332 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 59.0 t30 -117.89 144.32 45.54 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.744 0.818 . . . . 74.430000000000007 110.298 -173.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 167.14 78.77 0.04 OUTLIER Glycine 0 C--N 1.343 0.946 0 N-CA-C 111.368 -0.693 . . . . 54.32 111.368 -179.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -87.49 65.57 8.67 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 123.986 0.915 . . . . 74.310000000000002 111.352 -172.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.79 126.53 41.12 Favored 'General case' 0 N--CA 1.481 1.117 0 C-N-CA 122.88 0.472 . . . . 53.130000000000003 110.244 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 8.7 ptpp? -165.55 159.12 16.36 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 124.164 0.986 . . . . 73.349999999999994 109.049 171.032 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.5 p -162.53 128.72 3.48 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.918 0.487 . . . . 71.400000000000006 110.557 175.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -159.66 147.77 17.3 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.521 1.128 . . . . 74.319999999999993 109.181 174.204 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -128.59 143.12 42.06 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 124.189 0.996 . . . . 71.120000000000005 109.436 177.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 93.8 m -141.38 177.69 7.94 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.712 0.805 . . . . 70.450000000000003 110.628 178.295 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.37 92.18 1.64 Allowed Glycine 0 C--N 1.34 0.768 0 N-CA-C 111.256 -0.738 . . . . 45.520000000000003 111.256 179.133 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -68.96 162.68 26.22 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.318 0.647 . . . . 74.140000000000001 110.869 178.099 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 14.4 p -126.57 131.49 71.22 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 N-CA-C 109.101 -0.703 . . . . 72.540000000000006 109.101 176.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 44.9 t -161.14 70.99 0.39 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.692 0.758 . . . . 43.530000000000001 109.742 -178.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.3 mp -104.42 127.9 58.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.59 -0.893 . . . . 65.129999999999995 108.59 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -175.66 65.28 0.1 OUTLIER Glycine 0 CA--C 1.533 1.179 0 CA-C-O 119.587 -0.563 . . . . 53.219999999999999 112.037 175.442 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.473 ' HG2' HG13 ' A' ' 30' ' ' VAL . 56.5 Cg_endo -68.75 176.06 6.45 Favored 'Trans proline' 0 C--N 1.38 2.216 0 C-N-CA 122.758 2.305 . . . . 75.439999999999998 112.668 176.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.2 p-10 -84.97 36.65 0.63 Allowed 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 122.941 0.496 . . . . 63.439999999999998 112.112 -176.269 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.473 HG13 ' HG2' ' A' ' 28' ' ' PRO . 23.2 m -57.73 -29.85 35.97 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.057 0 C-N-CA 124.059 0.944 . . . . 73.019999999999996 112.429 -178.289 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 61.5 tp -62.95 -51.18 67.9 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.155 0.582 . . . . 54.229999999999997 110.59 178.216 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 25.9 ttt -63.18 -42.29 99.33 Favored 'General case' 0 N--CA 1.478 0.947 0 O-C-N 124.128 0.893 . . . . 73.409999999999997 111.534 -176.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 44.5 t -71.59 -40.58 71.33 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.731 0 CA-C-N 115.5 -0.773 . . . . 71.219999999999999 110.651 -177.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 56.9 t-80 -72.9 -28.19 62.33 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.092 0.557 . . . . 61.200000000000003 110.796 178.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.3 tmtt? -68.29 -44.99 74.28 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 124.029 0.932 . . . . 72.409999999999997 109.794 176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 32.6 ttt180 -67.72 -32.01 72.34 Favored 'General case' 0 CA--C 1.546 0.789 0 CA-C-O 121.405 0.622 . . . . 73.420000000000002 111.041 176.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 46.0 t -71.72 -27.18 62.83 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-N 115.523 -0.762 . . . . 73.25 110.435 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.8 t-80 -74.42 -39.64 62.49 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.119 0.568 . . . . 51.43 110.219 175.275 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 73.0 p -69.48 101.98 1.7 Allowed 'General case' 0 C--N 1.35 0.607 0 N-CA-C 109.58 -0.526 . . . . 53.43 109.58 178.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -78.84 63.63 3.77 Favored Glycine 0 C--N 1.348 1.232 0 CA-C-N 116.208 -0.451 . . . . 73.140000000000001 112.472 -177.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -91.42 98.74 11.87 Favored 'General case' 0 C--O 1.238 0.469 0 N-CA-C 107.783 -1.192 . . . . 70.200000000000003 107.783 176.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 64.1 mtm180 -73.55 111.82 13.58 Favored Pre-proline 0 CA--C 1.545 0.772 0 N-CA-C 108.943 -0.762 . . . . 75.239999999999995 108.943 177.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.43 154.61 29.04 Favored 'Trans proline' 0 C--N 1.378 2.12 0 C-N-CA 123.034 2.489 . . . . 63.210000000000001 113.325 -177.021 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 53' ' ' PHE . 87.7 m-85 -71.78 96.79 1.68 Allowed 'General case' 0 C--O 1.214 -0.805 0 CA-C-N 115.57 -0.741 . . . . 62.210000000000001 109.802 -179.753 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -142.72 142.63 32.02 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 123.35 0.66 . . . . 63.200000000000003 110.491 178.501 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 49' ' ' CYS . 47.6 t -88.48 85.61 6.88 Favored 'General case' 0 C--O 1.236 0.382 0 N-CA-C 108.733 -0.84 . . . . 55.109999999999999 108.733 174.663 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 4.8 p-10 -66.85 -22.5 65.99 Favored 'General case' 0 N--CA 1.477 0.907 0 CA-C-N 115.082 -0.963 . . . . 70.109999999999999 110.981 177.13 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 70.7 mt-30 -64.84 -27.41 68.85 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.056 0.942 . . . . 71.430000000000007 111.711 176.707 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.475 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 63.1 m -107.01 -26.54 11.12 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.794 0.838 . . . . 62.140000000000001 111.316 178.627 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 91.2 -0.78 75.95 Favored Glycine 0 C--N 1.343 0.963 0 N-CA-C 111.621 -0.592 . . . . 64.25 111.621 -168.29 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.39 100.13 6.67 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 123.569 0.748 . . . . 44.240000000000002 110.425 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 43.9 t -77.83 126.96 31.65 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.608 -0.515 . . . . 74.420000000000002 109.608 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.423 ' HB2' ' O ' ' A' ' 44' ' ' PHE . 65.2 m-85 -114.13 -163.06 0.84 Allowed 'General case' 0 N--CA 1.473 0.705 0 N-CA-C 107.649 -1.241 . . . . 65.109999999999999 107.649 172.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.408 HG23 ' HG2' ' A' ' 55' ' ' GLN . 12.6 t -152.03 -34.9 0.13 Allowed 'General case' 0 N--CA 1.467 0.412 0 C-N-CA 122.994 0.518 . . . . 73.349999999999994 109.672 174.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.408 ' HG2' HG23 ' A' ' 54' ' ' THR . 79.4 mm-40 -97.13 147.8 23.7 Favored 'General case' 0 C--O 1.241 0.651 0 C-N-CA 123.242 0.617 . . . . 72.409999999999997 109.455 179.508 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 8.4 ptpp? -65.89 -42.55 90.15 Favored 'General case' 0 C--O 1.204 -1.335 0 O-C-N 123.757 0.661 . . . . 65.219999999999999 110.982 -175.294 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.94 -26.41 63.09 Favored Glycine 0 C--N 1.348 1.234 0 O-C-N 123.334 0.396 . . . . 64.420000000000002 113.445 -175.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -75.03 -47.7 27.7 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.084 0.554 . . . . 73.230000000000004 110.294 175.482 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 62.9 tp -67.46 -40.4 85.38 Favored 'General case' 0 N--CA 1.477 0.89 0 CA-C-N 116.234 -0.439 . . . . 72.129999999999995 111.715 -179.65 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.514 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 72.8 mt -64.25 -50.65 67.14 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.874 0.87 . . . . 75.519999999999996 110.859 -170.773 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -64.48 -32.12 73.62 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 123.816 0.697 . . . . 62.100000000000001 110.7 179.539 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 21.7 t60 -70.63 -48.68 53.82 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.428 0.691 . . . . 73.5 110.73 -177.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.9 pt -70.03 -23.44 25.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.249 0 C-N-CA 123.829 0.852 . . . . 64.109999999999999 112.149 -176.487 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.574 ' HB3' ' HG2' ' A' ' 70' ' ' LYS . 29.9 mtpp -51.48 -43.89 62.3 Favored 'General case' 0 N--CA 1.479 0.975 0 O-C-N 123.407 0.442 . . . . 64.219999999999999 110.441 169.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.3 mp -67.48 -26.88 66.59 Favored 'General case' 0 CA--C 1.557 1.228 0 O-C-N 122.149 -0.344 . . . . 61.009999999999998 111.152 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 23.8 m-70 -73.18 -21.55 60.66 Favored 'General case' 0 N--CA 1.491 1.617 0 C-N-CA 123.342 0.657 . . . . 75.109999999999999 111.084 173.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.0 m -85.41 11.84 9.54 Favored 'General case' 0 CA--C 1.555 1.168 0 C-N-CA 123.944 0.898 . . . . 75.519999999999996 112.052 -175.443 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.38 -136.93 13.71 Favored Glycine 0 C--N 1.35 1.349 0 N-CA-C 113.947 0.339 . . . . 61.219999999999999 113.947 173.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -81.71 80.56 8.01 Favored 'General case' 0 C--N 1.347 0.494 0 N-CA-C 109.148 -0.686 . . . . 62.210000000000001 109.148 -171.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.574 ' HG2' ' HB3' ' A' ' 64' ' ' LYS . 0.2 OUTLIER -92.65 148.9 37.05 Favored Pre-proline 0 CA--C 1.548 0.882 0 N-CA-C 109.635 -0.506 . . . . 74.209999999999994 109.635 175.071 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -55.27 98.98 0.06 OUTLIER 'Trans proline' 0 C--N 1.383 2.38 0 C-N-CA 123.261 2.641 . . . . 64.099999999999994 112.705 -174.541 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -62.35 -33.88 75.59 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.329 1.051 . . . . 63.25 110.06 176.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 53.6 mtmt . . . . . 0 C--O 1.249 1.044 0 C-N-CA 124.439 1.096 . . . . 53.439999999999998 108.912 174.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.7 ptt? . . . . . 0 N--CA 1.475 0.82 0 N-CA-C 109.843 -0.428 . . . . 72.209999999999994 109.843 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -170.03 39.19 0.19 Allowed Glycine 0 C--N 1.338 0.668 0 N-CA-C 111.142 -0.783 . . . . 73.340000000000003 111.142 -179.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -117.31 84.15 2.11 Favored 'General case' 0 C--O 1.242 0.666 0 C-N-CA 124.197 0.999 . . . . 74.519999999999996 108.911 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 31.7 t60 -79.15 95.33 5.56 Favored 'General case' 0 C--O 1.239 0.522 0 N-CA-C 108.609 -0.885 . . . . 72.030000000000001 108.609 176.144 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 70.9 m80 -68.95 127.5 33.34 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.979 0.911 . . . . 73.420000000000002 110.511 -178.194 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -161.97 148.49 13.71 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.767 0.827 . . . . 72.420000000000002 109.959 -171.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.8 p-80 -159.58 140.87 12.78 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.28 0.632 . . . . 74.340000000000003 110.726 178.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 31.2 p-80 -160.82 136.92 8.35 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.026 0.93 . . . . 74.120000000000005 108.928 170.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.9 p -152.18 144.74 24.17 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 123.114 0.566 . . . . 71.329999999999998 110.769 -174.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 55.7 p-80 -158.48 168.97 25.5 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.88 0.872 . . . . 74.299999999999997 109.72 178.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.6 121.8 11.0 Favored Pre-proline 0 CA--C 1.55 0.972 0 C-N-CA 123.117 0.567 . . . . 53.299999999999997 109.847 -178.564 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 22.7 Cg_exo -65.12 82.53 0.19 Allowed 'Trans proline' 0 C--N 1.378 2.109 0 C-N-CA 123.212 2.608 . . . . 25.039999999999999 112.112 174.41 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -115.45 109.92 18.55 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 124.131 0.972 . . . . 71.430000000000007 109.301 177.146 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -156.97 40.66 0.55 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 116.371 -0.377 . . . . 53.299999999999997 112.306 -177.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 86.7 tttt -88.9 -21.01 23.84 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.544 0.738 . . . . 73.150000000000006 110.732 176.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.6 pt? -58.56 120.15 8.33 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.119 0.568 . . . . 62.0 111.98 -175.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -115.12 156.06 25.93 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.656 0.782 . . . . 71.319999999999993 110.076 177.276 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 84.2 m -146.73 105.15 3.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.692 0.797 . . . . 41.509999999999998 109.197 -177.689 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 6.2 p-10 -160.83 165.25 30.54 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.51 0.724 . . . . 73.239999999999995 110.033 -177.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -152.83 139.98 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.13 0.572 . . . . 63.0 110.604 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 24.1 p -152.27 130.72 12.15 Favored 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 108.75 -0.833 . . . . 75.209999999999994 108.75 175.233 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -173.13 103.75 0.19 Allowed Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.779 -0.528 . . . . 71.099999999999994 111.779 -178.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 79.3 mtp -137.13 135.45 37.4 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.008 0.923 . . . . 72.349999999999994 108.728 173.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -136.17 139.07 46.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.885 0 C-N-CA 123.672 0.789 . . . . 72.450000000000003 109.761 -179.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 61.5 m -132.97 117.76 18.03 Favored 'General case' 0 C--O 1.236 0.355 0 N-CA-C 108.55 -0.907 . . . . 63.340000000000003 108.55 178.185 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 14.6 tt -141.06 146.34 23.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.81 0 C-N-CA 124.15 0.98 . . . . 74.010000000000005 109.529 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 65.71 58.05 9.96 Favored Glycine 0 CA--C 1.537 1.435 0 CA-C-O 119.321 -0.711 . . . . 72.340000000000003 113.573 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -72.65 -60.19 0.05 OUTLIER 'Trans proline' 0 C--N 1.381 2.26 0 C-N-CA 122.978 2.452 . . . . 74.340000000000003 112.42 -176.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.44 ' O ' HG23 ' A' ' 33' ' ' VAL . 16.7 m120 -121.3 7.43 10.19 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.532 0.733 . . . . 61.140000000000001 111.013 -174.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 33.3 m -58.85 -31.54 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.148 0 C-N-CA 123.12 0.568 . . . . 64.430000000000007 112.024 -173.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 tt -70.9 -42.61 69.75 Favored 'General case' 0 N--CA 1.479 1.001 0 C-N-CA 123.942 0.897 . . . . 75.420000000000002 109.739 178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 11.2 tpt -62.53 -46.93 86.15 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.656 0.783 . . . . 72.310000000000002 111.057 178.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.44 HG23 ' O ' ' A' ' 29' ' ' ASN . 21.7 t -68.2 -35.46 71.4 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.953 0 C-N-CA 123.42 0.688 . . . . 71.420000000000002 110.452 -178.165 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 11.7 t-160 -60.01 -52.34 65.78 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 124.144 0.978 . . . . 70.530000000000001 110.433 176.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 12.3 tmtt? -65.55 -39.7 92.02 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.481 0.713 . . . . 73.230000000000004 110.269 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 2.0 tmm_? -59.85 -37.59 79.71 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 124.309 1.044 . . . . 74.200000000000003 110.599 -177.216 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 33.9 t -62.71 -23.32 67.09 Favored 'General case' 0 CA--C 1.554 1.108 0 C-N-CA 123.691 0.797 . . . . 74.409999999999997 111.661 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 87.5 m-70 -93.72 109.39 21.06 Favored 'General case' 0 C--O 1.242 0.668 0 C-N-CA 123.509 0.723 . . . . 71.25 110.035 177.236 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 40.5 p -85.27 95.45 9.2 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 109.084 -0.71 . . . . 74.219999999999999 109.084 170.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -79.62 162.58 47.39 Favored Glycine 0 C--N 1.347 1.14 0 CA-C-N 115.804 -0.635 . . . . 63.200000000000003 113.442 -173.219 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 61.21 -156.13 0.35 Allowed 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.178 0.991 . . . . 55.240000000000002 110.96 -178.394 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -71.98 143.54 86.6 Favored Pre-proline 0 CA--C 1.549 0.929 0 C-N-CA 123.454 0.702 . . . . 74.129999999999995 109.328 171.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 26.8 Cg_endo -63.19 117.41 4.34 Favored 'Trans proline' 0 C--N 1.368 1.595 0 C-N-CA 122.249 1.966 . . . . 72.450000000000003 111.75 176.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.487 ' HB3' HD22 ' A' ' 59' ' ' LEU . 69.9 m-85 -85.02 60.41 6.23 Favored 'General case' 0 N--CA 1.477 0.919 0 CA-C-O 122.242 1.02 . . . . 75.019999999999996 109.701 -179.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.589 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 16.3 t-80 -89.37 130.14 35.78 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 114.288 -1.324 . . . . 73.0 108.299 179.243 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.827 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 38.3 t -62.04 -80.61 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.058 0.849 . . . . 75.019999999999996 112.088 -172.474 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 43.9 t-20 -176.22 -73.03 0.01 OUTLIER 'General case' 0 C--N 1.364 1.216 0 O-C-N 123.711 0.632 . . . . 71.400000000000006 110.938 178.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -132.99 -1.13 3.32 Favored 'General case' 0 N--CA 1.489 1.483 0 C-N-CA 123.533 0.733 . . . . 75.439999999999998 112.598 -165.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 12.3 p -90.65 -4.98 56.4 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.631 0.772 . . . . 72.040000000000006 111.945 -177.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 86.58 -4.99 85.7 Favored Glycine 0 N--CA 1.472 1.044 0 CA-C-O 120.17 -0.239 . . . . 43.530000000000001 113.137 -179.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.55 137.61 34.52 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.1 0.56 . . . . 52.140000000000001 111.419 -177.578 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.589 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 33.4 t -150.26 128.29 11.88 Favored 'General case' 0 CA--C 1.537 0.459 0 C-N-CA 124.106 0.962 . . . . 51.32 108.544 -177.479 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -129.15 156.82 43.3 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 122.911 0.484 . . . . 72.109999999999999 111.083 -169.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 11.9 t -101.15 -5.32 25.8 Favored 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 123.645 0.778 . . . . 71.099999999999994 109.866 172.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.4 mm100 -121.16 141.8 50.49 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.865 0.866 . . . . 75.239999999999995 111.136 179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.414 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 98.3 mttt -65.67 -36.43 83.62 Favored 'General case' 0 C--O 1.21 -0.989 0 O-C-N 123.569 0.543 . . . . 70.420000000000002 110.153 168.035 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.483 ' O ' ' HG2' ' A' ' 61' ' ' ARG . . . -50.53 -49.49 39.35 Favored Glycine 0 C--N 1.35 1.322 0 O-C-N 123.892 0.745 . . . . 52.439999999999998 113.003 -178.827 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -70.41 -40.36 73.93 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 123.258 0.623 . . . . 64.439999999999998 111.223 179.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.487 HD22 ' HB3' ' A' ' 44' ' ' PHE . 54.4 tp -61.11 -42.73 99.06 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.37 0.668 . . . . 74.030000000000001 111.032 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 84.0 mt -70.83 -29.18 65.26 Favored 'General case' 0 CA--C 1.54 0.583 0 C-N-CA 124.1 0.96 . . . . 62.450000000000003 111.085 -172.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.536 ' HB3' ' HB2' ' A' ' 72' ' ' PHE . 16.5 mmt180 -74.09 -41.09 62.22 Favored 'General case' 0 N--CA 1.476 0.839 0 CA-C-O 121.131 0.491 . . . . 63.450000000000003 110.05 175.887 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.442 ' CD2' ' SG ' ' A' ' 46' ' ' CYS . 82.9 t60 -65.79 -48.18 72.65 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 114.271 -1.331 . . . . 72.530000000000001 112.212 -173.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.3 pt -62.02 -27.37 42.28 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.062 0 C-N-CA 123.638 0.775 . . . . 71.5 112.607 -174.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.659 ' HB3' ' HB2' ' A' ' 70' ' ' LYS . 29.0 mtpp -61.26 -38.55 87.13 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.809 0.844 . . . . 73.120000000000005 111.624 179.384 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.9 mp -65.45 -29.16 69.8 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.52 0.728 . . . . 70.030000000000001 111.182 -179.396 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 27.5 m-70 -78.03 -28.04 48.93 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.976 0.91 . . . . 74.25 110.25 177.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 m -89.22 19.64 4.2 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 123.998 0.919 . . . . 73.019999999999996 112.619 -172.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 114.57 36.74 1.26 Allowed Glycine 0 C--N 1.345 1.06 0 CA-C-O 120.0 -0.333 . . . . 55.210000000000001 112.747 177.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 56.91 40.17 29.02 Favored 'General case' 0 N--CA 1.484 1.261 0 C-N-CA 124.014 0.925 . . . . 71.019999999999996 111.418 175.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.659 ' HB2' ' HB3' ' A' ' 64' ' ' LYS . 95.2 mttt -70.27 139.34 87.17 Favored Pre-proline 0 CA--C 1.548 0.886 0 CA-C-N 115.719 -0.673 . . . . 75.099999999999994 110.97 -176.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 28.3 Cg_endo -58.37 116.94 3.6 Favored 'Trans proline' 0 C--N 1.372 1.808 0 C-N-CA 123.532 2.821 . . . . 72.200000000000003 112.715 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.536 ' HB2' ' HB3' ' A' ' 61' ' ' ARG . 51.6 p90 -73.5 -26.47 60.9 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 123.309 0.643 . . . . 74.120000000000005 111.764 -179.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 C--O 1.25 1.104 0 C-N-CA 123.14 0.576 . . . . 61.32 109.956 -178.928 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.827 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mpp? . . . . . 0 N--CA 1.483 1.176 0 N-CA-C 110.041 -0.355 . . . . 74.510000000000005 110.041 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 178.35 125.57 0.93 Allowed Glycine 0 C--N 1.341 0.851 0 N-CA-C 110.669 -0.972 . . . . 74.349999999999994 110.669 178.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 14.9 p-80 -150.99 163.81 37.87 Favored 'General case' 0 N--CA 1.479 1.006 0 CA-C-N 117.251 0.525 . . . . 75.340000000000003 111.441 -178.186 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 28.6 m-70 -115.4 -164.13 0.93 Allowed 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 107.69 -1.226 . . . . 72.439999999999998 107.69 170.09 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.7 p80 -145.71 166.13 26.74 Favored 'General case' 0 N--CA 1.476 0.84 0 N-CA-C 109.601 -0.518 . . . . 62.43 109.601 171.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 m-70 -79.24 145.07 33.79 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.226 0.611 . . . . 74.439999999999998 110.626 178.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 22.4 t-80 -99.3 0.23 42.6 Favored 'General case' 0 CA--C 1.559 1.321 0 C-N-CA 122.985 0.514 . . . . 64.120000000000005 111.85 -172.43 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 62.1 t60 60.71 91.54 0.05 Allowed 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 124.514 1.126 . . . . 74.25 111.856 174.252 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.5 m -76.67 96.52 4.21 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.071 0.548 . . . . 73.209999999999994 111.49 -178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -156.22 146.18 21.25 Favored 'General case' 0 N--CA 1.472 0.651 0 N-CA-C 108.298 -1.001 . . . . 75.430000000000007 108.298 171.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -141.82 149.37 52.94 Favored Pre-proline 0 CA--C 1.546 0.798 0 C-N-CA 123.218 0.607 . . . . 73.510000000000005 109.825 -178.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.2 Cg_endo -80.96 155.48 20.03 Favored 'Trans proline' 0 C--N 1.367 1.516 0 C-N-CA 122.27 1.98 . . . . 51.039999999999999 111.67 173.153 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 25.6 t-20 -111.32 119.88 40.37 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 108.277 -1.009 . . . . 63.409999999999997 108.277 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -80.76 55.51 4.73 Favored Glycine 0 C--N 1.349 1.268 0 C-N-CA 122.991 0.329 . . . . 34.5 113.314 -176.01 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 60.0 pttt -84.39 147.3 27.22 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 123.683 0.793 . . . . 72.310000000000002 110.683 -178.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.1 pp -139.55 176.3 8.84 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.331 1.052 . . . . 74.430000000000007 109.733 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -138.24 147.04 43.29 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.721 0.408 . . . . 75.310000000000002 109.939 -179.132 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 43.7 t -65.68 117.01 7.5 Favored 'General case' 0 C--N 1.348 0.508 0 C-N-CA 124.217 1.007 . . . . 70.129999999999995 110.236 178.426 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -68.81 152.19 45.64 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 123.267 0.627 . . . . 72.019999999999996 110.513 179.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.2 p -67.05 130.87 32.8 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.292 0 C-N-CA 123.719 0.808 . . . . 64.150000000000006 111.507 -175.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t -89.79 163.34 15.09 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.104 0.962 . . . . 64.450000000000003 109.689 177.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -128.36 133.27 7.64 Favored Glycine 0 C--N 1.343 0.971 0 N-CA-C 111.411 -0.676 . . . . 61.439999999999998 111.411 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.2 ptm -105.45 166.8 10.18 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.415 0.686 . . . . 75.510000000000005 110.817 -177.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -84.68 149.61 4.29 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 CA-C-N 115.531 -0.759 . . . . 75.219999999999999 109.304 173.401 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 53.4 t -144.38 158.0 43.97 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 124.014 0.926 . . . . 75.409999999999997 108.605 175.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 9.0 tt -61.96 133.53 27.67 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.925 0 N-CA-C 109.882 -0.414 . . . . 74.319999999999993 109.882 176.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.15 -161.6 26.99 Favored Glycine 0 CA--C 1.535 1.314 0 CA-C-O 119.822 -0.432 . . . . 60.329999999999998 113.01 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.422 ' HB2' HG13 ' A' ' 30' ' ' VAL . 18.4 Cg_exo -66.67 163.23 33.81 Favored 'Trans proline' 0 C--N 1.37 1.693 0 C-N-CA 123.04 2.493 . . . . 71.040000000000006 112.796 177.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -86.34 57.45 4.49 Favored 'General case' 0 CA--C 1.555 1.144 0 CA-C-O 122.307 1.051 . . . . 64.129999999999995 109.68 -177.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.422 HG13 ' HB2' ' A' ' 28' ' ' PRO . 35.6 m -74.11 -26.75 21.21 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.092 0 CA-C-N 114.697 -1.138 . . . . 74.239999999999995 111.48 -175.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.409 HD12 ' N ' ' A' ' 32' ' ' MET . 3.6 pp -61.52 -33.21 73.42 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 123.456 0.703 . . . . 74.439999999999998 112.14 177.306 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.409 ' N ' HD12 ' A' ' 31' ' ' LEU . 26.1 ttt -74.74 -46.12 39.51 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 123.328 0.651 . . . . 55.409999999999997 109.969 177.425 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 81.0 t -61.79 -34.92 64.77 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.903 0 C-N-CA 123.968 0.907 . . . . 74.510000000000005 110.84 -178.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -64.38 -53.49 47.77 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.932 0.893 . . . . 61.229999999999997 109.932 178.216 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.8 mttp -67.13 -28.51 68.21 Favored 'General case' 0 N--CA 1.478 0.97 0 CA-C-N 115.518 -0.764 . . . . 50.43 111.647 -178.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.39 -51.38 30.13 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 123.926 0.89 . . . . 72.519999999999996 109.014 -178.381 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.2 m -59.15 -37.63 77.76 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.48 0.712 . . . . 71.340000000000003 111.686 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -76.64 -65.06 0.98 Allowed 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.5 0.72 . . . . 63.439999999999998 110.982 -178.385 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 25.7 m 68.45 144.0 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.221 1.408 . . . . 74.400000000000006 112.258 -176.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -155.29 -117.22 0.58 Allowed Glycine 0 C--N 1.341 0.855 0 N-CA-C 111.234 -0.746 . . . . 52.130000000000003 111.234 178.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 11.2 tp10 -81.05 139.48 35.69 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 123.08 0.552 . . . . 72.310000000000002 110.451 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 95.8 mtt180 -87.44 137.81 32.25 Favored Pre-proline 0 CA--C 1.543 0.7 0 C-N-CA 123.916 0.886 . . . . 74.299999999999997 109.925 179.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.24 -6.33 16.4 Favored 'Trans proline' 0 C--N 1.372 1.787 0 C-N-CA 122.806 2.338 . . . . 63.439999999999998 113.495 -177.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 25.9 m-85 54.01 60.97 3.28 Favored 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.605 1.162 . . . . 72.340000000000003 110.915 179.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 18.9 t60 -88.62 109.21 19.92 Favored 'General case' 0 C--O 1.236 0.353 0 CA-C-N 114.328 -1.305 . . . . 73.319999999999993 108.929 -173.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 27.8 t -62.73 98.96 0.13 Allowed 'General case' 0 C--O 1.241 0.614 0 O-C-N 124.072 0.858 . . . . 53.350000000000001 109.398 168.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 53.3 t30 -75.32 78.25 2.41 Favored 'General case' 0 CA--C 1.552 1.057 0 C-N-CA 123.516 0.726 . . . . 74.219999999999999 109.89 179.49 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 173.14 -41.6 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 125.953 1.701 . . . . 74.439999999999998 108.058 177.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.763 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 88.5 m -87.29 -41.39 13.7 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.507 0.723 . . . . 51.340000000000003 110.989 176.679 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 94.13 0.12 66.03 Favored Glycine 0 N--CA 1.467 0.762 0 CA-C-N 115.751 -0.659 . . . . 74.519999999999996 112.265 -172.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -80.4 152.01 29.07 Favored 'General case' 0 N--CA 1.47 0.57 0 C-N-CA 123.882 0.873 . . . . 64.340000000000003 110.392 -179.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 62.0 p -134.27 146.27 49.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.959 0.904 . . . . 71.239999999999995 109.876 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 84.8 m-85 -128.57 154.91 45.7 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 123.525 0.73 . . . . 64.209999999999994 110.812 -174.681 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.466 HG23 ' HG2' ' A' ' 55' ' ' GLN . 13.4 t -98.5 -14.47 20.0 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.947 0.499 . . . . 61.229999999999997 111.018 177.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.466 ' HG2' HG23 ' A' ' 54' ' ' THR . 15.4 mm100 -117.83 152.39 35.46 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 123.625 0.77 . . . . 74.530000000000001 110.478 -177.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 34.6 mmtp -61.91 -57.07 13.17 Favored 'General case' 0 N--CA 1.472 0.641 0 O-C-N 124.189 0.931 . . . . 73.040000000000006 110.086 173.567 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.08 -26.58 49.58 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 124.504 1.128 . . . . 75.209999999999994 114.881 -173.561 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.425 ' ND2' ' HB2' ' A' ' 55' ' ' GLN . 75.9 m-20 -75.1 -41.62 58.29 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 123.269 0.628 . . . . 71.450000000000003 110.491 177.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 53.8 tp -69.45 -39.2 77.91 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 122.94 0.496 . . . . 73.510000000000005 110.229 175.635 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.98 -40.78 91.52 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 124.149 0.98 . . . . 62.25 110.904 -177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -71.71 -33.41 68.74 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.577 0.751 . . . . 74.540000000000006 110.162 176.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 34.0 t60 -68.07 -52.49 34.63 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 122.906 0.482 . . . . 74.439999999999998 110.952 -179.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 23.9 pt -68.41 -23.96 28.93 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 123.706 0.802 . . . . 54.119999999999997 111.152 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.3 tmtp? -58.64 -43.03 89.64 Favored 'General case' 0 N--CA 1.472 0.656 0 C-N-CA 123.569 0.747 . . . . 73.319999999999993 110.643 167.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 97.7 mt -69.92 -30.44 67.85 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 122.961 0.504 . . . . 75.209999999999994 111.223 177.2 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 41.5 m-70 -66.71 -38.82 87.5 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 122.745 0.418 . . . . 75.340000000000003 110.345 173.212 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 29.3 m 59.68 93.35 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.665 1.228 . . . . 75.420000000000002 111.418 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -178.5 -49.21 0.07 OUTLIER Glycine 0 C--N 1.345 1.029 0 CA-C-N 116.486 -0.324 . . . . 75.420000000000002 112.355 -178.072 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 26.1 mm-40 -79.26 2.35 21.6 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.481 0.712 . . . . 64.439999999999998 112.692 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 14.9 ptmm? -128.6 159.75 66.29 Favored Pre-proline 0 CA--C 1.547 0.834 0 C-N-CA 124.773 1.229 . . . . 75.209999999999994 109.529 -179.603 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 42.9 Cg_endo -67.78 150.21 78.79 Favored 'Trans proline' 0 C--N 1.369 1.617 0 C-N-CA 122.157 1.905 . . . . 65.540000000000006 111.011 166.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 75.9 t80 -73.43 -44.07 59.02 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 123.217 0.607 . . . . 73.219999999999999 109.699 178.098 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 46.3 mtmt . . . . . 0 C--O 1.249 1.068 0 C-N-CA 123.717 0.807 . . . . 74.120000000000005 109.631 176.135 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.763 'ZN ' ' HG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.479 0.98 0 N-CA-C 109.427 -0.583 . . . . 54.109999999999999 109.427 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -149.94 75.74 0.25 Allowed Glycine 0 C--N 1.35 1.337 0 N-CA-C 111.376 -0.69 . . . . 42.32 111.376 -178.046 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -89.23 153.27 21.05 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.578 0.751 . . . . 73.340000000000003 109.78 -177.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 72.4 m80 -145.99 -62.7 0.32 Allowed 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.789 0.836 . . . . 71.140000000000001 109.768 178.607 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.9 m-70 60.23 95.14 0.03 OUTLIER 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 124.097 0.959 . . . . 74.439999999999998 110.63 -173.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 57.0 t60 -61.24 136.37 58.03 Favored 'General case' 0 C--N 1.351 0.664 0 C-N-CA 123.024 0.53 . . . . 64.25 109.708 178.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 29.7 m170 -70.26 96.24 1.09 Allowed 'General case' 0 C--O 1.242 0.682 0 O-C-N 124.148 0.905 . . . . 54.439999999999998 110.17 -175.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 67.0 m80 -66.16 117.66 8.78 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 114.572 -1.195 . . . . 65.310000000000002 110.089 -179.026 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.3 p -131.06 145.71 52.12 Favored 'General case' 0 C--O 1.246 0.871 0 C-N-CA 123.619 0.768 . . . . 75.340000000000003 110.225 -175.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 16.7 p80 -151.01 116.67 5.46 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 124.391 1.076 . . . . 54.130000000000003 108.316 -174.091 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 17.8 ptt? -144.32 82.2 10.83 Favored Pre-proline 0 N--CA 1.478 0.936 0 CA-C-O 121.282 0.563 . . . . 74.25 111.325 -175.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 83.7 Cg_endo -81.05 136.58 10.4 Favored 'Trans proline' 0 C--N 1.373 1.866 0 C-N-CA 122.776 2.317 . . . . 74.230000000000004 111.771 175.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -81.93 97.39 8.04 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 108.074 -1.084 . . . . 74.400000000000006 108.074 171.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -66.42 96.81 0.3 Allowed Glycine 0 C--N 1.347 1.148 0 O-C-N 124.12 0.888 . . . . 70.099999999999994 111.871 -179.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -129.18 129.03 44.56 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.822 0.849 . . . . 63.43 109.831 -176.675 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.24 153.06 45.05 Favored 'General case' 0 C--O 1.243 0.724 0 C-N-CA 124.878 1.271 . . . . 72.219999999999999 108.862 177.175 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 44.9 mtmt -121.05 146.38 46.78 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.134 0.574 . . . . 62.43 109.633 177.662 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 57.4 m -112.65 111.23 21.89 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 124.567 1.147 . . . . 42.240000000000002 108.974 175.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -64.25 138.01 58.22 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.804 0.841 . . . . 41.399999999999999 110.401 -179.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 30.2 m -106.09 147.84 11.18 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 C-N-CA 124.161 0.985 . . . . 75.439999999999998 110.986 -176.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 30.4 p -153.04 175.6 12.8 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.734 0.814 . . . . 73.109999999999999 110.085 178.855 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 143.0 29.39 0.13 Allowed Glycine 0 N--CA 1.471 1.011 0 N-CA-C 111.725 -0.55 . . . . 65.25 111.725 -179.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.4 ' SD ' ' N ' ' A' ' 23' ' ' MET . 1.7 mpt? -75.58 139.92 42.36 Favored 'General case' 0 C--O 1.24 0.57 0 C-N-CA 123.823 0.849 . . . . 73.329999999999998 110.393 -177.201 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -147.51 142.99 19.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.954 0 C-N-CA 124.186 0.994 . . . . 64.239999999999995 109.124 174.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 25.2 p -154.31 116.37 4.25 Favored 'General case' 0 C--O 1.24 0.587 0 C-N-CA 124.328 1.051 . . . . 43.25 108.265 178.611 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 48.5 pt -109.46 169.09 3.59 Favored 'Isoleucine or valine' 0 C--O 1.247 0.967 0 C-N-CA 123.663 0.785 . . . . 72.519999999999996 111.068 -176.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -122.06 144.13 16.05 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 118.889 -0.95 . . . . 74.230000000000004 110.735 171.63 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_endo -75.47 155.35 40.78 Favored 'Trans proline' 0 C--N 1.37 1.709 0 C-N-CA 122.711 2.274 . . . . 71.310000000000002 112.663 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -84.09 39.95 0.73 Allowed 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 124.181 0.992 . . . . 53.439999999999998 111.389 177.506 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -64.94 -26.43 40.05 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.963 0 CA-C-O 120.916 0.389 . . . . 73.219999999999999 110.19 171.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 5.1 mp -68.9 -31.95 71.23 Favored 'General case' 0 CA--C 1.553 1.077 0 C-N-CA 123.792 0.837 . . . . 65.200000000000003 110.872 175.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.444 ' SD ' ' NZ ' ' A' ' 35' ' ' LYS . 15.7 tpt -66.31 -43.53 85.99 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 123.98 0.912 . . . . 63.420000000000002 111.779 -176.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 26.4 m -70.35 -29.45 39.13 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.116 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 111.502 -178.068 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 54.1 m170 -59.59 -26.69 65.63 Favored 'General case' 0 N--CA 1.485 1.282 0 C-N-CA 123.976 0.91 . . . . 74.530000000000001 111.765 176.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' NZ ' ' SD ' ' A' ' 32' ' ' MET . 4.9 ttmp? -55.0 -53.34 57.09 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 124.177 0.991 . . . . 72.310000000000002 111.458 177.043 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 18.6 mtm180 -69.77 -22.08 63.37 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-N 115.653 -0.703 . . . . 74.450000000000003 111.732 -176.015 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 22.7 t -59.24 -31.55 69.17 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 123.432 0.693 . . . . 65.140000000000001 111.036 178.097 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -69.36 -7.07 34.08 Favored 'General case' 0 N--CA 1.483 1.183 0 N-CA-C 113.803 1.038 . . . . 63.009999999999998 113.803 -174.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 58.3 p -63.84 -43.05 97.34 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-O 120.894 0.378 . . . . 71.120000000000005 111.153 177.767 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -121.26 -46.17 0.34 Allowed Glycine 0 C--N 1.342 0.905 0 CA-C-N 115.848 -0.615 . . . . 74.109999999999999 111.687 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 22.5 mm-40 -74.81 89.89 2.34 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.0 0.52 . . . . 73.430000000000007 109.652 177.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -111.06 129.51 23.91 Favored Pre-proline 0 CA--C 1.546 0.807 0 C-N-CA 123.959 0.904 . . . . 61.229999999999997 110.285 179.156 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.522 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 32.0 Cg_endo -62.62 129.3 25.96 Favored 'Trans proline' 0 C--N 1.375 1.953 0 C-N-CA 122.146 1.897 . . . . 75.209999999999994 111.604 174.219 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.485 ' HB3' HD22 ' A' ' 59' ' ' LEU . 79.4 m-85 -60.91 146.58 46.16 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 123.734 0.814 . . . . 62.240000000000002 110.218 175.379 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 25.2 t-80 -124.79 120.08 30.71 Favored 'General case' 0 N--CA 1.471 0.619 0 C-N-CA 122.758 0.423 . . . . 74.239999999999995 110.339 -177.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 32.4 t -74.68 107.76 7.0 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 108.535 -0.913 . . . . 60.200000000000003 108.535 170.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.5 t30 -74.4 139.73 44.24 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 115.418 -0.81 . . . . 73.120000000000005 111.243 -170.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 96.7 mt-30 56.7 32.41 21.07 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 124.471 1.108 . . . . 74.219999999999999 111.153 -179.435 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.637 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 42.1 t -136.99 -35.39 0.7 Allowed 'General case' 0 N--CA 1.47 0.567 0 C-N-CA 124.321 1.048 . . . . 74.0 110.737 -174.447 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.01 49.21 6.1 Favored Glycine 0 C--N 1.351 1.374 0 O-C-N 124.056 0.847 . . . . 64.340000000000003 113.023 173.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.44 141.54 33.7 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.325 0.65 . . . . 63.420000000000002 109.847 179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 60.2 p -129.46 128.79 43.63 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.679 0.791 . . . . 72.549999999999997 109.908 -179.571 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.0 m-85 -136.06 120.46 18.05 Favored 'General case' 0 N--CA 1.47 0.532 0 C-N-CA 124.595 1.158 . . . . 75.420000000000002 109.078 -176.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 43' ' ' PRO . 11.4 t -71.2 -20.26 62.29 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.198 0.311 . . . . 73.450000000000003 111.546 177.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.1 mm100 -105.14 135.45 46.48 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.938 0.895 . . . . 64.540000000000006 109.818 179.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.407 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 19.8 pttm -61.77 -37.49 84.48 Favored 'General case' 0 C--O 1.213 -0.831 0 O-C-N 123.987 0.804 . . . . 65.120000000000005 109.856 173.377 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.04 -39.6 80.17 Favored Glycine 0 C--N 1.355 1.586 0 O-C-N 123.482 0.489 . . . . 25.23 113.12 179.219 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -72.21 -41.23 67.15 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 122.968 0.507 . . . . 54.219999999999999 110.698 179.521 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.485 HD22 ' HB3' ' A' ' 44' ' ' PHE . 39.7 tp -66.93 -40.99 87.74 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.125 0.57 . . . . 64.329999999999998 111.057 -178.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.407 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 95.5 mt -68.98 -34.45 75.33 Favored 'General case' 0 N--CA 1.475 0.799 0 C-N-CA 123.758 0.823 . . . . 73.450000000000003 110.566 -175.382 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.447 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 74.2 ttt180 -66.61 -48.98 67.81 Favored 'General case' 0 CA--C 1.543 0.703 0 N-CA-C 109.507 -0.553 . . . . 52.539999999999999 109.507 172.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.433 ' NE2' ' SG ' ' A' ' 49' ' ' CYS . 76.8 t60 -58.37 -51.01 71.6 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.568 1.147 . . . . 64.310000000000002 112.806 -175.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.3 pt -64.85 -28.69 45.39 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 122.88 0.472 . . . . 74.400000000000006 110.785 -175.765 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 1.9 tmmm? -68.58 -43.09 77.26 Favored 'General case' 0 CA--C 1.546 0.825 0 N-CA-C 109.277 -0.638 . . . . 62.299999999999997 109.277 175.59 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 93.2 mt -59.52 -48.69 80.66 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.494 0.718 . . . . 70.230000000000004 112.098 -176.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 33.8 p80 -90.82 3.44 54.43 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 122.332 0.253 . . . . 73.209999999999994 111.524 176.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 13.5 m 61.21 83.82 0.14 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 124.537 1.135 . . . . 61.100000000000001 111.836 173.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.13 -86.11 0.25 Allowed Glycine 0 C--N 1.346 1.113 0 CA-C-N 115.431 -0.804 . . . . 21.109999999999999 111.75 -176.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -133.44 76.03 1.65 Allowed 'General case' 0 C--O 1.242 0.682 0 CA-C-O 122.255 1.026 . . . . 73.510000000000005 108.775 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.6 157.84 64.4 Favored Pre-proline 0 CA--C 1.547 0.851 0 CA-C-N 115.199 -0.91 . . . . 73.219999999999999 110.123 -174.134 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 27.7 Cg_endo -60.74 91.7 0.09 OUTLIER 'Trans proline' 0 C--N 1.371 1.716 0 C-N-CA 123.02 2.48 . . . . 62.420000000000002 112.408 170.001 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -76.58 118.38 19.18 Favored 'General case' 0 C--O 1.242 0.694 0 N-CA-C 108.409 -0.96 . . . . 72.340000000000003 108.409 178.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.558 1.263 0 C-N-CA 125.125 1.37 . . . . 71.549999999999997 109.317 179.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.637 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.478 0.933 0 N-CA-C 108.837 -0.801 . . . . 75.109999999999999 108.837 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 73.78 114.62 0.08 OUTLIER Glycine 0 C--N 1.347 1.184 0 CA-C-N 115.534 -0.757 . . . . 75.239999999999995 111.563 -175.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.1 t-80 -72.51 82.63 1.09 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.5 0.667 . . . . 75.5 109.902 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 17.1 p-80 -81.79 139.3 34.87 Favored 'General case' 0 C--O 1.24 0.556 0 CA-C-N 114.409 -1.269 . . . . 72.439999999999998 110.021 -178.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.6 p-80 -149.33 111.37 4.62 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 115.833 -0.621 . . . . 64.140000000000001 110.451 -171.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.0 t60 -95.16 129.19 42.36 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.373 -0.603 . . . . 75.400000000000006 109.373 177.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -115.37 152.98 31.85 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.141 0.576 . . . . 63.340000000000003 109.984 175.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 22.4 t60 -132.3 98.15 4.31 Favored 'General case' 0 N--CA 1.471 0.61 0 N-CA-C 108.645 -0.872 . . . . 75.319999999999993 108.645 178.388 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.1 p -79.76 158.44 26.87 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 122.902 0.481 . . . . 64.439999999999998 109.771 171.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.9 p80 -158.99 97.02 1.37 Allowed 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 123.387 0.675 . . . . 71.549999999999997 110.011 179.1 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 14.2 tpt -161.96 98.08 1.2 Allowed Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 123.988 0.915 . . . . 65.349999999999994 108.928 177.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -75.71 159.66 38.57 Favored 'Trans proline' 0 C--N 1.368 1.562 0 C-N-CA 121.941 1.761 . . . . 61.32 111.709 172.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -131.9 126.32 33.86 Favored 'General case' 0 N--CA 1.468 0.455 0 N-CA-C 108.024 -1.102 . . . . 70.519999999999996 108.024 176.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -175.02 97.47 0.11 Allowed Glycine 0 C--N 1.333 0.403 0 N-CA-C 111.469 -0.653 . . . . 73.310000000000002 111.469 -175.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.96 140.8 53.05 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 123.099 0.56 . . . . 62.299999999999997 110.559 177.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 pp -135.28 176.03 9.04 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.603 0.761 . . . . 71.510000000000005 110.077 -178.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 17.8 ptpt -165.4 35.6 0.06 Allowed 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 123.399 0.68 . . . . 73.340000000000003 110.213 179.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 20.7 p -58.07 108.36 0.59 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 122.83 0.452 . . . . 64.510000000000005 111.498 -176.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 -150.6 -174.99 4.93 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.908 0.883 . . . . 75.230000000000004 109.773 -178.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 34.6 m -118.98 137.61 52.4 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 122.834 0.453 . . . . 70.319999999999993 111.285 -177.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 27.6 p -92.2 -179.04 5.14 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.34 0.656 . . . . 70.25 110.32 173.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.81 53.98 0.3 Allowed Glycine 0 C--N 1.347 1.181 0 N-CA-C 111.592 -0.603 . . . . 55.25 111.592 -179.587 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 64.0 mtt -75.09 114.66 13.84 Favored 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.65 0.78 . . . . 74.430000000000007 111.087 -175.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -150.52 129.32 3.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.898 0 C-N-CA 124.187 0.995 . . . . 65.409999999999997 109.862 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 85.3 m -148.28 113.7 5.61 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 108.784 -0.821 . . . . 70.319999999999993 108.784 178.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.2 tt -160.67 133.97 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.63 0 C-N-CA 123.854 0.862 . . . . 72.510000000000005 109.548 179.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -69.68 153.86 52.6 Favored Glycine 0 CA--C 1.536 1.379 0 CA-C-O 119.349 -0.695 . . . . 43.310000000000002 112.49 177.545 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.477 ' HB2' HG13 ' A' ' 30' ' ' VAL . 38.5 Cg_endo -64.44 171.91 7.38 Favored 'Trans proline' 0 C--N 1.375 1.954 0 C-N-CA 122.59 2.193 . . . . 73.530000000000001 112.791 -178.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -99.89 34.45 2.28 Favored 'General case' 0 N--CA 1.489 1.499 0 CA-C-O 121.428 0.632 . . . . 72.329999999999998 110.388 178.255 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.477 HG13 ' HB2' ' A' ' 28' ' ' PRO . 22.6 m -61.29 -27.11 41.19 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.106 0 C-N-CA 124.209 1.004 . . . . 75.310000000000002 112.684 178.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 8.4 tt -54.77 -42.98 72.38 Favored 'General case' 0 N--CA 1.48 1.057 0 C-N-CA 124.557 1.143 . . . . 72.099999999999994 110.948 179.275 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 32.1 mtm -65.36 -49.85 67.78 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.679 0.612 . . . . 73.310000000000002 110.115 -178.23 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 45.6 t -62.63 -35.52 70.79 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.916 0 C-N-CA 123.964 0.905 . . . . 71.409999999999997 110.737 -178.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -66.18 -46.28 77.9 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 124.787 1.235 . . . . 63.149999999999999 110.743 -179.487 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -67.68 -35.49 78.95 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.011 -0.54 . . . . 71.219999999999999 110.618 177.324 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 28.8 ttm180 -72.94 -22.38 60.73 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 123.42 0.688 . . . . 72.019999999999996 110.935 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.5 m -64.11 -35.54 81.11 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 122.885 0.474 . . . . 63.409999999999997 110.583 170.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 21.8 t-80 -92.04 -6.78 50.44 Favored 'General case' 0 CA--C 1.55 0.957 0 C-N-CA 123.188 0.595 . . . . 63.140000000000001 112.104 -172.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 45.9 p -88.98 21.55 3.08 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 122.837 0.455 . . . . 60.409999999999997 111.86 177.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -81.65 -137.16 2.27 Favored Glycine 0 C--N 1.349 1.287 0 C-N-CA 122.505 0.098 . . . . 72.439999999999998 112.973 178.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -89.31 179.55 6.07 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.393 0.677 . . . . 74.209999999999994 110.985 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 66.5 mtm180 -65.76 124.53 87.73 Favored Pre-proline 0 C--O 1.249 1.07 0 C-N-CA 123.344 0.658 . . . . 72.409999999999997 109.78 177.542 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 15.2 Cg_exo -69.87 110.42 2.57 Favored 'Trans proline' 0 C--N 1.367 1.513 0 C-N-CA 122.181 1.921 . . . . 73.420000000000002 109.723 169.341 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.436 ' HB3' HD22 ' A' ' 59' ' ' LEU . 95.9 m-85 -49.93 127.94 17.48 Favored 'General case' 0 C--O 1.2 -1.514 0 O-C-N 124.146 0.904 . . . . 72.340000000000003 109.946 175.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 20.9 p-80 -138.71 150.54 46.28 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 119.195 0.907 . . . . 75.319999999999993 111.766 -170.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 12.3 t -69.8 -24.42 63.48 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.934 0.893 . . . . 72.200000000000003 112.049 -174.044 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.9 t30 78.35 -60.62 0.4 Allowed 'General case' 0 N--CA 1.485 1.3 0 C-N-CA 125.292 1.437 . . . . 72.310000000000002 112.117 173.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 2.5 mp0 -72.82 -55.41 6.73 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 123.062 0.545 . . . . 74.109999999999999 110.337 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 2.1 p -98.78 157.11 16.5 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 115.552 -0.749 . . . . 71.040000000000006 109.698 173.586 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -92.51 77.97 1.21 Allowed Glycine 0 C--N 1.341 0.849 0 CA-C-N 115.937 -0.574 . . . . 74.349999999999994 113.225 -168.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -135.02 106.04 6.63 Favored 'General case' 0 N--CA 1.478 0.934 0 N-CA-C 109.551 -0.537 . . . . 72.299999999999997 109.551 174.077 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 38.9 p -84.58 121.05 27.07 Favored 'General case' 0 CA--C 1.548 0.878 0 CA-C-O 121.41 0.624 . . . . 44.329999999999998 109.811 175.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -101.6 -174.6 2.63 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 125.273 1.429 . . . . 54.200000000000003 108.982 173.33 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.0 t -141.35 -6.71 1.04 Allowed 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.096 0.559 . . . . 73.030000000000001 110.289 175.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -112.9 151.18 30.78 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.384 0.674 . . . . 62.020000000000003 111.152 -175.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 51.8 tptt -69.11 -62.57 1.32 Allowed 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.598 1.159 . . . . 70.310000000000002 110.765 -177.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -61.56 -25.98 65.99 Favored Glycine 0 C--N 1.343 0.933 0 O-C-N 124.221 0.951 . . . . 60.399999999999999 114.33 -175.144 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -69.19 -42.57 75.66 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.206 0.602 . . . . 64.120000000000005 110.094 -179.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' HB3' ' A' ' 44' ' ' PHE . 48.6 tp -75.53 -37.86 59.77 Favored 'General case' 0 CA--C 1.543 0.696 0 CA-C-N 116.16 -0.473 . . . . 62.329999999999998 110.461 176.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 64' ' ' LYS . 23.9 mt -58.64 -47.9 82.87 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.621 0.768 . . . . 71.209999999999994 111.742 -177.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.17 -29.89 66.89 Favored 'General case' 0 N--CA 1.474 0.775 0 CA-C-O 120.968 0.413 . . . . 71.239999999999995 110.839 179.621 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -74.35 -46.59 39.73 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 123.419 0.688 . . . . 73.310000000000002 111.89 -172.358 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 21.4 pt -64.11 -24.21 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.301 0 C-N-CA 123.509 0.723 . . . . 72.030000000000001 112.219 -178.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.569 ' HB3' ' HD2' ' A' ' 70' ' ' LYS . 29.1 mtpp -56.52 -38.11 71.38 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 123.696 0.798 . . . . 72.329999999999998 110.763 173.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.7 mp -69.25 -18.76 63.9 Favored 'General case' 0 N--CA 1.484 1.265 0 C-N-CA 122.781 0.432 . . . . 75.340000000000003 111.568 179.682 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 97.6 m-70 -88.26 -13.53 40.7 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 123.383 0.673 . . . . 74.5 111.417 175.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 m -85.23 122.45 29.44 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 123.808 0.843 . . . . 74.230000000000004 111.001 -176.553 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -58.12 -46.28 92.9 Favored Glycine 0 C--N 1.354 1.561 0 O-C-N 123.446 0.466 . . . . 71.109999999999999 112.668 176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -117.85 137.04 53.05 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 124.158 0.983 . . . . 75.340000000000003 109.074 170.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.569 ' HD2' ' HB3' ' A' ' 64' ' ' LYS . 23.8 pttm -153.52 150.97 24.47 Favored Pre-proline 0 CA--C 1.551 1.001 0 C-N-CA 123.158 0.583 . . . . 73.420000000000002 110.293 179.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.4 Cg_endo -83.39 111.26 1.8 Allowed 'Trans proline' 0 CA--C 1.552 1.416 0 C-N-CA 122.682 2.255 . . . . 74.200000000000003 111.708 165.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -77.41 117.49 18.94 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 108.391 -0.966 . . . . 75.439999999999998 108.391 176.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.56 1.329 0 O-C-N 124.242 0.964 . . . . 75.519999999999996 112.319 -178.222 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 54.9 mtm . . . . . 0 N--CA 1.485 1.29 0 N-CA-C 110.209 -0.293 . . . . 73.209999999999994 110.209 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 146.81 -75.14 0.28 Allowed Glycine 0 C--N 1.339 0.722 0 N-CA-C 110.925 -0.87 . . . . 40.100000000000001 110.925 178.555 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 79.4 t60 59.28 101.14 0.02 OUTLIER 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 125.308 1.443 . . . . 71.129999999999995 111.735 -179.107 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 45.7 p-80 -145.11 125.18 13.62 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.32 0.648 . . . . 64.420000000000002 109.76 179.635 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -127.82 105.84 8.71 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.578 0.751 . . . . 74.420000000000002 109.09 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.5 t60 -110.48 121.82 46.23 Favored 'General case' 0 N--CA 1.469 0.492 0 N-CA-C 108.73 -0.841 . . . . 64.319999999999993 108.73 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 65.7 t60 -157.9 110.32 2.37 Favored 'General case' 0 C--O 1.239 0.516 0 C-N-CA 124.564 1.146 . . . . 62.299999999999997 108.234 178.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -127.26 140.18 52.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.626 0.77 . . . . 75.209999999999994 109.219 179.235 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.4 t -70.08 108.24 4.0 Favored 'General case' 0 CA--C 1.543 0.691 0 O-C-N 123.731 0.644 . . . . 75.409999999999997 110.513 -179.316 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 86.9 m-70 -84.74 88.3 7.37 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.677 0.791 . . . . 74.230000000000004 109.138 177.036 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -158.78 97.36 1.72 Allowed Pre-proline 0 C--O 1.241 0.647 0 N-CA-C 108.179 -1.045 . . . . 71.129999999999995 108.179 177.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 61.2 Cg_endo -73.71 130.71 15.01 Favored 'Trans proline' 0 C--N 1.374 1.904 0 C-N-CA 122.389 2.06 . . . . 61.350000000000001 110.885 172.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -79.89 77.29 6.56 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 123.256 0.622 . . . . 75.430000000000007 109.921 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -79.37 74.17 2.26 Favored Glycine 0 C--N 1.342 0.915 0 N-CA-C 110.682 -0.967 . . . . 74.319999999999993 110.682 176.627 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 52.1 tptt -85.59 98.38 10.62 Favored 'General case' 0 C--O 1.239 0.546 0 C-N-CA 123.196 0.598 . . . . 74.010000000000005 109.731 -174.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 tm? -128.74 131.65 47.89 Favored 'General case' 0 C--O 1.239 0.552 0 CA-C-N 115.773 -0.649 . . . . 53.43 109.881 -175.248 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -113.83 144.95 42.15 Favored 'General case' 0 C--O 1.241 0.648 0 C-N-CA 124.346 1.059 . . . . 74.319999999999993 109.206 174.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 71.4 m -115.63 94.97 4.92 Favored 'General case' 0 C--O 1.24 0.585 0 N-CA-C 107.736 -1.209 . . . . 74.239999999999995 107.736 169.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -159.46 121.97 3.5 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 123.237 0.615 . . . . 61.0 109.452 -175.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 32.2 m -116.06 -178.8 1.23 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 124.074 0.95 . . . . 55.32 110.091 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 83.9 m -113.16 160.65 18.01 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.828 0.851 . . . . 74.129999999999995 110.42 174.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -81.31 73.68 2.56 Favored Glycine 0 C--N 1.35 1.331 0 N-CA-C 111.802 -0.519 . . . . 61.340000000000003 111.802 178.578 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 62.1 mtt -93.62 164.88 12.99 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 124.057 0.943 . . . . 73.049999999999997 110.754 -176.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 93.6 t 63.43 111.2 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.316 0 C-N-CA 125.031 1.332 . . . . 73.430000000000007 112.196 174.281 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 33.4 m -58.84 135.06 57.41 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 123.984 0.914 . . . . 74.430000000000007 111.419 -178.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 33.1 pt -81.74 130.21 36.2 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.071 0 C-N-CA 123.243 0.617 . . . . 73.340000000000003 110.183 -179.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 75.79 169.19 26.69 Favored Glycine 0 CA--C 1.534 1.232 0 CA-C-N 115.728 -0.669 . . . . 65.209999999999994 112.854 -176.158 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.458 ' HB2' HG12 ' A' ' 30' ' ' VAL . 59.1 Cg_endo -69.19 143.56 54.03 Favored 'Trans proline' 0 C--N 1.366 1.495 0 C-N-CA 122.637 2.225 . . . . 52.530000000000001 113.022 -174.67 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 64.5 t30 -73.73 -4.96 37.71 Favored 'General case' 0 N--CA 1.484 1.255 0 C-N-CA 124.098 0.959 . . . . 74.430000000000007 111.497 -177.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.458 HG12 ' HB2' ' A' ' 28' ' ' PRO . 11.7 p -56.79 -33.57 41.34 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.24 0 C-N-CA 124.092 0.957 . . . . 64.010000000000005 111.61 176.173 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 72.5 mt -64.0 -42.15 97.26 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.897 0.879 . . . . 73.450000000000003 110.203 177.715 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.5 tpt -75.05 -42.72 56.44 Favored 'General case' 0 CA--C 1.544 0.713 0 CA-C-N 114.979 -1.01 . . . . 75.230000000000004 112.184 -175.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 30' ' ' VAL . 12.7 p -68.35 -34.86 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.211 0.204 . . . . 71.010000000000005 110.789 -178.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -65.78 -46.77 77.47 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 123.099 0.56 . . . . 73.420000000000002 110.458 173.415 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -63.64 -48.82 75.71 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.791 0.836 . . . . 71.150000000000006 111.739 -177.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 29.0 tpt180 -68.39 -18.51 64.48 Favored 'General case' 0 N--CA 1.482 1.169 0 C-N-CA 123.892 0.877 . . . . 62.32 111.907 -172.027 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 61.8 m -68.21 -21.73 64.84 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 123.255 0.622 . . . . 72.340000000000003 112.386 177.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 13.6 p80 -146.44 134.41 21.42 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 122.994 0.518 . . . . 72.349999999999994 110.996 -177.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 2.8 t -136.12 85.2 2.13 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.955 -1.128 . . . . 52.140000000000001 107.955 176.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -59.13 120.27 21.9 Favored Glycine 0 C--N 1.353 1.497 0 CA-C-N 114.591 -1.186 . . . . 32.039999999999999 114.058 -168.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -91.35 178.61 5.92 Favored 'General case' 0 C--O 1.239 0.518 0 C-N-CA 123.746 0.818 . . . . 74.049999999999997 110.731 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.8 mmp_? -107.36 153.84 40.97 Favored Pre-proline 0 CA--C 1.544 0.741 0 C-N-CA 124.175 0.99 . . . . 64.140000000000001 110.475 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_exo -58.39 132.28 47.73 Favored 'Trans proline' 0 C--N 1.379 2.164 0 C-N-CA 122.72 2.28 . . . . 74.150000000000006 111.801 172.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 53' ' ' PHE . 85.1 m-85 -72.54 162.0 30.05 Favored 'General case' 0 N--CA 1.471 0.579 0 C-N-CA 123.707 0.803 . . . . 74.239999999999995 110.598 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 95.6 m-70 -138.66 156.94 47.0 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.316 0.646 . . . . 72.109999999999999 110.511 -171.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.6 t -121.12 127.45 51.62 Favored 'General case' 0 C--O 1.24 0.556 0 N-CA-C 108.167 -1.049 . . . . 65.25 108.167 171.88 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -71.46 -69.76 0.36 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 124.041 0.936 . . . . 75.540000000000006 111.787 -171.196 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -90.35 60.95 4.87 Favored 'General case' 0 N--CA 1.481 1.107 0 CA-C-O 121.605 0.717 . . . . 64.109999999999999 111.715 -172.047 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 29.1 p -178.89 -33.1 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.222 1.409 . . . . 73.099999999999994 109.256 170.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.75 81.95 0.8 Allowed Glycine 0 C--N 1.354 1.538 0 CA-C-N 116.182 -0.463 . . . . 61.520000000000003 112.446 178.451 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -141.83 140.04 32.84 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 123.544 0.738 . . . . 45.409999999999997 110.384 -178.184 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 34.5 t -107.34 148.38 29.11 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 123.449 0.7 . . . . 70.420000000000002 109.799 176.754 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.669 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 43.9 m-85 -136.13 124.25 23.01 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.744 0.818 . . . . 74.420000000000002 109.321 -173.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.449 HG23 ' HG2' ' A' ' 55' ' ' GLN . 4.7 t -67.77 -41.63 82.99 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 110.108 -0.33 . . . . 75.040000000000006 110.108 176.039 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.449 ' HG2' HG23 ' A' ' 54' ' ' THR . 81.4 mm-40 -121.3 157.47 30.3 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.184 0.594 . . . . 75.340000000000003 110.799 -177.551 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.615 ' H ' ' HD3' ' A' ' 56' ' ' LYS . 0.4 OUTLIER -69.06 -18.97 64.08 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 115.163 -0.926 . . . . 71.010000000000005 110.998 173.692 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -58.35 -35.67 80.03 Favored Glycine 0 C--N 1.351 1.394 0 N-CA-C 112.229 -0.348 . . . . 63.130000000000003 112.229 169.611 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.566 ' HB2' ' HB3' ' A' ' 53' ' ' PHE . 13.6 m120 -74.77 -46.51 36.59 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.912 0.885 . . . . 72.129999999999995 110.559 175.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 48.1 tp -60.86 -53.97 50.86 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.667 0.787 . . . . 74.099999999999994 111.276 -175.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.44 -32.29 72.26 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 124.473 1.109 . . . . 73.109999999999999 111.904 -176.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.414 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 26.9 ttt180 -67.18 -46.82 72.81 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.427 0.691 . . . . 71.329999999999998 110.472 174.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -74.4 -47.4 34.14 Favored 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.009 0.924 . . . . 74.319999999999993 112.302 -170.665 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.1 pt -67.16 -25.74 34.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 123.206 0.602 . . . . 51.539999999999999 111.222 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.579 ' HA ' ' HB3' ' A' ' 70' ' ' LYS . 22.8 ttpp -62.99 -39.19 93.99 Favored 'General case' 0 C--N 1.353 0.725 0 C-N-CA 123.149 0.579 . . . . 73.400000000000006 110.463 169.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 75.9 mt -70.12 -14.9 62.86 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.698 0.799 . . . . 71.150000000000006 111.938 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -78.35 -8.32 58.3 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.415 0.686 . . . . 73.209999999999994 111.779 174.101 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.7 t -139.68 -170.46 2.93 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 108.375 -0.972 . . . . 60.130000000000003 108.375 174.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -74.53 -53.43 6.64 Favored Glycine 0 C--N 1.339 0.746 0 N-CA-C 109.78 -1.328 . . . . 52.340000000000003 109.78 165.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -140.78 125.39 17.89 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 125.705 1.602 . . . . 73.349999999999994 107.019 177.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.579 ' HB3' ' HA ' ' A' ' 64' ' ' LYS . 24.6 pttm -77.12 160.32 76.27 Favored Pre-proline 0 CA--C 1.554 1.117 0 C-N-CA 124.035 0.934 . . . . 74.200000000000003 111.992 -173.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 95.7 Cg_endo -77.6 79.45 3.2 Favored 'Trans proline' 0 C--N 1.368 1.592 0 C-N-CA 122.104 1.869 . . . . 74.310000000000002 112.201 167.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . 0.442 ' HB2' ' HE2' ' A' ' 70' ' ' LYS . 91.7 t80 -78.14 -35.92 48.41 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.352 0.661 . . . . 62.109999999999999 109.764 174.767 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 16.1 ptpt . . . . . 0 CA--C 1.558 1.267 0 C-N-CA 124.091 0.956 . . . . 71.230000000000004 109.471 177.3 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.074 -0.713 . . . . 71.319999999999993 109.074 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 174.78 -113.33 0.45 Allowed Glycine 0 C--N 1.349 1.305 0 N-CA-C 110.623 -0.991 . . . . 52.200000000000003 110.623 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 36.3 m80 59.49 84.74 0.11 Allowed 'General case' 0 N--CA 1.489 1.518 0 C-N-CA 124.568 1.147 . . . . 74.109999999999999 111.94 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 55.6 m80 -134.03 91.98 2.89 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.048 0.939 . . . . 72.200000000000003 109.236 178.15 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 12.4 t60 -103.73 85.77 2.49 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.845 -0.798 . . . . 75.219999999999999 108.845 177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -88.58 135.85 33.29 Favored 'General case' 0 C--O 1.242 0.691 0 C-N-CA 123.189 0.596 . . . . 71.450000000000003 109.63 176.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.2 m-70 -94.37 143.44 26.4 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 124.074 0.95 . . . . 65.409999999999997 110.141 -177.784 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 -161.09 141.39 11.07 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.701 0.8 . . . . 74.430000000000007 109.13 -178.709 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.1 m 63.39 34.11 13.24 Favored 'General case' 0 N--CA 1.485 1.296 0 C-N-CA 124.522 1.129 . . . . 64.340000000000003 111.076 -179.178 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' O ' ' HD3' ' A' ' 12' ' ' PRO . 85.1 t60 -79.63 -19.05 50.13 Favored 'General case' 0 N--CA 1.479 1.008 0 CA-C-N 115.417 -0.81 . . . . 74.310000000000002 111.8 -178.428 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 62.5 mtt -103.69 98.08 12.17 Favored Pre-proline 0 CA--C 1.557 1.216 0 C-N-CA 122.961 0.504 . . . . 71.299999999999997 110.438 -174.744 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.407 ' HD3' ' O ' ' A' ' 10' ' ' HIS . 62.4 Cg_endo -88.67 172.24 4.78 Favored 'Trans proline' 0 C--N 1.379 2.177 0 C-N-CA 123.572 2.848 . . . . 73.140000000000001 112.93 178.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 10.9 p30 -125.55 179.86 4.95 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 109.687 -0.486 . . . . 65.200000000000003 109.687 171.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -161.75 62.63 0.28 Allowed Glycine 0 C--N 1.338 0.692 0 N-CA-C 110.485 -1.046 . . . . 64.200000000000003 110.485 -178.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -84.41 99.77 10.88 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.294 0.638 . . . . 63.5 110.108 -176.556 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.8 mt -113.73 161.41 17.54 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.916 0.886 . . . . 71.409999999999997 109.409 171.433 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -125.47 -178.97 4.42 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.473 0.709 . . . . 60.340000000000003 110.045 178.639 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 85.1 m -144.6 136.35 25.79 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.985 0.914 . . . . 74.109999999999999 109.891 -177.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -128.16 143.21 51.03 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.071 0.549 . . . . 64.129999999999995 111.265 -179.697 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 2.5 p -139.89 107.7 2.9 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.742 0 C-N-CA 124.351 1.061 . . . . 74.400000000000006 108.245 176.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -66.22 130.61 43.8 Favored 'General case' 0 N--CA 1.47 0.55 0 C-N-CA 122.899 0.48 . . . . 72.310000000000002 110.245 -178.349 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -76.63 71.21 2.14 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.578 0.549 . . . . 41.409999999999997 112.023 179.542 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 59.5 mtt -75.41 101.94 4.97 Favored 'General case' 0 C--O 1.236 0.37 0 C-N-CA 123.782 0.833 . . . . 63.210000000000001 109.376 -176.196 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 56.6 t -72.89 75.84 0.29 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.656 0 N-CA-C 108.363 -0.977 . . . . 72.340000000000003 108.363 175.237 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 35.3 t -82.24 89.27 6.51 Favored 'General case' 0 C--O 1.24 0.57 0 CA-C-N 114.821 -1.082 . . . . 73.140000000000001 109.438 -174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 10.1 tt -156.07 119.36 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.447 0 CA-C-N 115.351 -0.841 . . . . 52.310000000000002 108.756 173.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.466 ' O ' HG12 ' A' ' 30' ' ' VAL . . . -80.07 106.5 2.48 Favored Glycine 0 C--N 1.339 0.714 0 N-CA-C 109.163 -1.575 . . . . 71.5 109.163 166.328 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 24.1 Cg_endo -57.02 -29.42 82.83 Favored 'Trans proline' 0 C--N 1.37 1.678 0 C-N-CA 123.203 2.602 . . . . 73.209999999999994 113.962 -165.743 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.454 ' O ' HG23 ' A' ' 33' ' ' VAL . 62.1 t30 -71.5 -16.11 62.33 Favored 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 123.098 0.559 . . . . 73.349999999999994 111.994 -173.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG12 ' O ' ' A' ' 27' ' ' GLY . 7.5 p -64.91 -30.65 50.96 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.135 0 C-N-CA 122.549 0.34 . . . . 72.230000000000004 110.686 178.407 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 52.0 tp -74.58 -35.96 63.03 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 123.863 0.865 . . . . 75.430000000000007 110.281 175.331 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.9 tpt -66.65 -37.19 84.29 Favored 'General case' 0 CA--C 1.553 1.094 0 C-N-CA 123.96 0.904 . . . . 64.239999999999995 110.949 176.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.454 HG23 ' O ' ' A' ' 29' ' ' ASN . 61.3 t -77.05 -29.59 17.36 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.177 0 C-N-CA 123.915 0.886 . . . . 53.119999999999997 110.305 175.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -59.59 -27.01 65.9 Favored 'General case' 0 N--CA 1.492 1.675 0 C-N-CA 123.826 0.85 . . . . 62.009999999999998 111.336 176.357 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -63.28 -32.72 74.2 Favored 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.2 1.0 . . . . 65.329999999999998 111.168 175.172 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 11.0 mmt180 -83.03 -5.06 58.96 Favored 'General case' 0 N--CA 1.483 1.185 0 C-N-CA 124.305 1.042 . . . . 74.299999999999997 113.334 -177.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 77.3 p -48.65 -42.83 35.65 Favored 'General case' 0 N--CA 1.492 1.663 0 C-N-CA 124.587 1.155 . . . . 71.340000000000003 113.059 -173.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 63.7 m80 -94.46 -94.26 0.17 Allowed 'General case' 0 C--O 1.238 0.492 0 CA-C-N 115.535 -0.757 . . . . 74.430000000000007 109.408 175.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 69.4 p 41.53 40.6 1.39 Allowed 'General case' 0 C--N 1.364 1.206 0 C-N-CA 124.601 1.161 . . . . 73.120000000000005 111.061 -168.095 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -74.24 94.4 0.81 Allowed Glycine 0 C--N 1.353 1.505 0 CA-C-N 114.141 -1.391 . . . . 45.25 113.351 -169.036 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 30.0 mt-10 -68.47 -32.12 71.9 Favored 'General case' 0 N--CA 1.471 0.585 0 C-N-CA 123.728 0.811 . . . . 71.150000000000006 109.985 171.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -97.36 141.1 22.52 Favored Pre-proline 0 CA--C 1.544 0.721 0 N-CA-C 108.374 -0.972 . . . . 72.450000000000003 108.374 167.546 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 43.9 Cg_endo -65.95 154.41 74.1 Favored 'Trans proline' 0 C--N 1.37 1.677 0 C-N-CA 122.294 1.996 . . . . 73.140000000000001 112.674 178.179 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.435 ' HA ' HD22 ' A' ' 59' ' ' LEU . 93.3 m-85 -84.29 11.02 9.03 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 115.72 -0.673 . . . . 62.420000000000002 110.907 174.167 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 39.8 t-80 -90.3 119.63 30.76 Favored 'General case' 0 C--O 1.239 0.54 0 C-N-CA 124.281 1.033 . . . . 75.140000000000001 109.275 171.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.502 ' HB3' ' HB3' ' A' ' 51' ' ' ALA . 54.0 t -73.32 105.4 4.7 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.511 0.724 . . . . 74.030000000000001 109.147 173.487 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -70.07 148.02 49.3 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 124.041 0.937 . . . . 63.350000000000001 111.27 -174.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 60.59 20.34 10.21 Favored 'General case' 0 CA--C 1.561 1.378 0 C-N-CA 124.858 1.263 . . . . 74.439999999999998 111.804 175.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.61 ' SG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 52.4 t -124.11 -50.91 1.79 Allowed 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.959 0.904 . . . . 72.129999999999995 110.638 -177.378 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 100.61 50.66 1.27 Allowed Glycine 0 C--N 1.341 0.859 0 N-CA-C 111.081 -0.808 . . . . 60.039999999999999 111.081 -176.176 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.502 ' HB3' ' HB3' ' A' ' 46' ' ' CYS . . . -142.25 143.97 33.11 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.732 0.813 . . . . 75.109999999999999 109.634 178.499 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.458 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 25.2 p -141.97 138.13 31.71 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 124.055 0.942 . . . . 42.350000000000001 109.152 178.359 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -133.11 168.57 18.27 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 123.601 0.76 . . . . 75.230000000000004 110.05 -175.284 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.553 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.5 t -105.32 -43.3 5.03 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 122.578 0.351 . . . . 71.540000000000006 110.693 177.55 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.553 ' HG2' HG23 ' A' ' 54' ' ' THR . 13.0 mm100 -99.29 159.64 14.85 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-O 121.433 0.635 . . . . 74.430000000000007 110.761 -178.112 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.505 ' HE2' HD11 ' A' ' 60' ' ' LEU . 87.8 tttt -69.18 -31.5 70.17 Favored 'General case' 0 C--O 1.215 -0.727 0 CA-C-N 114.49 -1.232 . . . . 63.409999999999997 110.658 174.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -62.46 -36.58 93.36 Favored Glycine 0 N--CA 1.476 1.301 0 O-C-N 123.192 0.308 . . . . 72.439999999999998 112.864 178.749 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.414 ' OD1' ' HB2' ' A' ' 55' ' ' GLN . 14.7 m120 -76.05 -38.86 56.67 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.309 0.644 . . . . 64.510000000000005 110.481 178.845 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.435 HD22 ' HA ' ' A' ' 44' ' ' PHE . 62.3 tp -64.17 -51.37 64.15 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.58 -0.736 . . . . 65.530000000000001 110.067 179.679 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.505 HD11 ' HE2' ' A' ' 56' ' ' LYS . 56.4 mt -57.39 -38.1 73.74 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 124.536 1.134 . . . . 75.049999999999997 111.549 -179.097 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.435 ' NH1' HD11 ' A' ' 65' ' ' LEU . 2.6 tmt_? -64.13 -43.83 94.07 Favored 'General case' 0 CA--C 1.554 1.123 0 C-N-CA 124.21 1.004 . . . . 74.420000000000002 109.802 -178.556 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -75.85 -49.03 19.14 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.356 0.662 . . . . 52.509999999999998 111.945 -176.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.413 HD11 HD23 ' A' ' 60' ' ' LEU . 18.5 pt -68.12 -24.39 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 C-N-CA 123.298 0.639 . . . . 74.430000000000007 111.234 -174.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.586 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 18.4 ttpp -59.31 -35.28 73.52 Favored 'General case' 0 CA--C 1.551 0.994 0 C-N-CA 123.488 0.715 . . . . 72.420000000000002 110.902 172.424 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 HD11 ' NH1' ' A' ' 61' ' ' ARG . 64.0 mt -71.16 -22.42 62.05 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 124.214 1.006 . . . . 73.5 111.89 179.07 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.411 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 29.9 m-70 -73.58 -12.41 60.75 Favored 'General case' 0 N--CA 1.49 1.553 0 C-N-CA 122.847 0.459 . . . . 74.140000000000001 111.48 173.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.0 t -127.85 -178.56 4.55 Favored 'General case' 0 C--O 1.243 0.76 0 C-N-CA 123.816 0.846 . . . . 74.329999999999998 109.145 -179.591 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -133.23 135.56 8.15 Favored Glycine 0 C--N 1.341 0.848 0 N-CA-C 111.5 -0.64 . . . . 61.229999999999997 111.5 177.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 67.18 34.7 4.85 Favored 'General case' 0 CA--C 1.561 1.376 0 C-N-CA 124.798 1.239 . . . . 72.140000000000001 112.027 172.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.586 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 27.3 mtpp -69.97 139.31 87.92 Favored Pre-proline 0 N--CA 1.482 1.164 0 C-N-CA 122.918 0.487 . . . . 73.319999999999993 110.51 169.706 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 59.0 Cg_endo -67.98 85.7 0.4 Allowed 'Trans proline' 0 C--N 1.378 2.122 0 C-N-CA 123.274 2.649 . . . . 55.119999999999997 112.913 -177.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 77.7 t80 -102.71 112.22 24.89 Favored 'General case' 0 N--CA 1.473 0.696 0 N-CA-C 108.772 -0.825 . . . . 70.150000000000006 108.772 178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HA ' ' HE3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.02 0 N-CA-C 108.79 -0.819 . . . . 71.25 108.79 176.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.61 'ZN ' ' SG ' ' A' ' 49' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 65.0 mtt . . . . . 0 N--CA 1.485 1.319 0 N-CA-C 109.426 -0.583 . . . . 55.229999999999997 109.426 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 88.94 133.49 4.73 Favored Glycine 0 C--N 1.351 1.401 0 O-C-N 123.275 0.36 . . . . 35.240000000000002 112.206 -175.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 44.7 p-80 -144.05 133.96 23.95 Favored 'General case' 0 N--CA 1.475 0.812 0 C-N-CA 123.35 0.66 . . . . 75.420000000000002 109.626 -176.51 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 70.4 m80 -138.85 160.23 40.2 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.211 0.604 . . . . 74.099999999999994 110.42 -177.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -140.64 166.15 25.52 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.805 0.842 . . . . 55.109999999999999 109.6 -178.399 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 58.3 m-70 -89.07 171.39 9.87 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.461 -0.791 . . . . 73.150000000000006 111.275 -178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 19.4 m170 -141.55 132.65 26.25 Favored 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 124.942 1.297 . . . . 64.209999999999994 109.236 175.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 33.0 p-80 -93.12 145.76 24.16 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.087 0.555 . . . . 73.219999999999999 110.717 -178.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 46.8 t -139.22 132.63 30.13 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 123.343 0.657 . . . . 71.040000000000006 109.321 178.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 54.2 m80 -83.7 -178.17 6.93 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 123.639 0.775 . . . . 73.549999999999997 110.946 -178.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 50.1 ttm -116.14 123.34 31.01 Favored Pre-proline 0 CA--C 1.543 0.692 0 N-CA-C 108.327 -0.99 . . . . 60.240000000000002 108.327 175.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -72.3 142.41 37.34 Favored 'Trans proline' 0 C--N 1.373 1.829 0 C-N-CA 122.453 2.102 . . . . 71.129999999999995 112.258 -174.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 27.2 t-20 -75.33 143.43 42.89 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.281 0.632 . . . . 61.43 109.568 176.249 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -143.67 22.68 2.17 Favored Glycine 0 C--N 1.335 0.509 0 N-CA-C 111.46 -0.656 . . . . 52.009999999999998 111.46 176.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 64.5 tttp -82.56 85.37 6.99 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 123.145 0.578 . . . . 63.130000000000003 109.627 -179.057 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.508 HD12 ' HD2' ' A' ' 17' ' ' LYS . 0.2 OUTLIER 179.34 160.96 0.77 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 126.397 1.879 . . . . 74.150000000000006 106.981 176.541 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' HD2' HD12 ' A' ' 16' ' ' LEU . 0.7 OUTLIER 63.87 35.56 10.91 Favored 'General case' 0 N--CA 1.484 1.26 0 C-N-CA 123.972 0.909 . . . . 44.219999999999999 110.87 177.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 41.8 t -144.25 92.59 2.33 Favored 'General case' 0 C--O 1.24 0.601 0 N-CA-C 109.305 -0.628 . . . . 43.130000000000003 109.305 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 36.3 t70 -162.46 154.69 18.98 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.553 0.741 . . . . 72.439999999999998 109.13 -178.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 35.6 m -80.67 149.84 4.95 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.764 0 C-N-CA 123.539 0.736 . . . . 73.25 111.453 -178.124 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.1 t -91.71 101.31 13.92 Favored 'General case' 0 C--O 1.241 0.61 0 N-CA-C 109.261 -0.644 . . . . 63.25 109.261 177.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -84.5 70.43 3.15 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 115.838 -0.619 . . . . 64.230000000000004 112.06 179.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . 0.519 ' HG2' ' H ' ' A' ' 24' ' ' VAL . 16.4 ttt -164.08 179.35 6.99 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.464 1.106 . . . . 72.510000000000005 108.639 -179.176 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.519 ' H ' ' HG2' ' A' ' 23' ' ' MET . 24.3 t 69.72 79.4 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.934 0 C-N-CA 124.798 1.239 . . . . 74.319999999999993 110.463 173.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 11.8 p -157.63 94.48 1.36 Allowed 'General case' 0 C--O 1.239 0.54 0 CA-C-N 114.835 -1.075 . . . . 54.409999999999997 108.807 -179.772 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 29.1 pt -83.77 170.64 1.33 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.647 0.779 . . . . 74.230000000000004 110.737 178.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -121.52 169.39 14.53 Favored Glycine 0 C--O 1.242 0.626 0 CA-C-O 119.421 -0.655 . . . . 72.310000000000002 112.426 178.371 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.82 151.3 57.0 Favored 'Trans proline' 0 C--N 1.372 1.794 0 C-N-CA 123.002 2.468 . . . . 54.420000000000002 111.6 174.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 27.1 p-10 -88.21 43.58 1.14 Allowed 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.204 0.602 . . . . 74.109999999999999 110.637 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 21.8 m -60.85 -27.01 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.998 0 C-N-CA 124.205 1.002 . . . . 74.310000000000002 112.298 -178.585 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.3 tt -68.31 -41.53 80.73 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.805 0.842 . . . . 72.150000000000006 109.611 175.719 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 26.5 ttt -67.04 -39.28 86.94 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 124.368 1.067 . . . . 52.219999999999999 110.976 177.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 58.3 t -65.01 -39.77 86.81 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.777 0 CA-C-N 115.646 -0.706 . . . . 70.530000000000001 110.002 177.023 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 39.9 t-80 -64.27 -40.76 96.62 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.192 0.997 . . . . 62.310000000000002 110.97 175.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.1 tttt -65.67 -41.69 92.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.357 1.063 . . . . 55.210000000000001 110.763 179.434 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 24.1 tpt180 -71.49 -32.32 68.12 Favored 'General case' 0 CA--C 1.545 0.763 0 CA-C-N 115.109 -0.951 . . . . 74.400000000000006 110.76 -179.521 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 24.3 t -68.14 -31.64 71.35 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.412 0.685 . . . . 74.420000000000002 110.648 176.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 t-80 -81.75 74.88 8.71 Favored 'General case' 0 CA--C 1.548 0.898 0 N-CA-C 109.248 -0.649 . . . . 72.510000000000005 109.248 177.265 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 21.4 m -88.83 -54.8 3.97 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 123.541 0.736 . . . . 55.140000000000001 109.823 -179.686 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 144.34 -127.76 3.06 Favored Glycine 0 C--N 1.341 0.84 0 N-CA-C 109.574 -1.411 . . . . 73.299999999999997 109.574 -174.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -79.0 170.43 16.7 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 121.247 0.546 . . . . 73.549999999999997 110.212 172.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 88.9 mtt180 -101.64 133.06 21.03 Favored Pre-proline 0 C--O 1.242 0.694 0 C-N-CA 123.87 0.868 . . . . 72.219999999999999 108.676 178.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 66.3 Cg_endo -71.21 157.88 56.12 Favored 'Trans proline' 0 C--N 1.372 1.799 0 C-N-CA 122.222 1.948 . . . . 75.349999999999994 111.486 -179.669 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 35.5 m-85 -79.37 175.96 10.12 Favored 'General case' 0 N--CA 1.482 1.151 0 CA-C-N 115.864 -0.607 . . . . 72.099999999999994 110.878 -177.544 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 56.4 p-80 -135.12 157.49 46.78 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 124.001 0.921 . . . . 74.439999999999998 108.892 -179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.423 ' SG ' ' NE2' ' A' ' 66' ' ' HIS . 7.1 t -74.74 -94.11 0.02 OUTLIER 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 122.936 0.494 . . . . 74.120000000000005 109.846 174.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -151.81 -61.83 0.17 Allowed 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.874 0.87 . . . . 74.549999999999997 109.023 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -145.58 -13.74 0.5 Allowed 'General case' 0 N--CA 1.489 1.507 0 N-CA-C 112.631 0.604 . . . . 73.519999999999996 112.631 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 25.4 p -73.79 -2.79 25.01 Favored 'General case' 0 N--CA 1.498 1.962 0 N-CA-C 113.494 0.924 . . . . 50.119999999999997 113.494 -169.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.12 31.68 59.34 Favored Glycine 0 C--N 1.345 1.057 0 N-CA-C 111.894 -0.482 . . . . 72.549999999999997 111.894 -179.224 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.03 122.4 46.77 Favored 'General case' 0 N--CA 1.466 0.328 0 C-N-CA 123.397 0.679 . . . . 65.140000000000001 109.755 178.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.7 t -115.32 131.33 56.96 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.732 0.813 . . . . 73.439999999999998 108.961 178.277 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -130.08 136.13 49.0 Favored 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.129 0.571 . . . . 64.439999999999998 109.904 -176.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.1 t -93.22 -21.89 19.36 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 109.66 -0.496 . . . . 73.340000000000003 109.66 167.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.0 mm100 -84.36 116.78 23.21 Favored 'General case' 0 C--O 1.238 0.49 0 C-N-CA 123.763 0.825 . . . . 72.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -67.75 -38.44 83.47 Favored 'General case' 0 C--O 1.207 -1.159 0 O-C-N 123.94 0.775 . . . . 73.200000000000003 110.917 -179.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -66.33 -31.61 79.52 Favored Glycine 0 C--N 1.344 0.973 0 C-N-CA 121.668 -0.301 . . . . 63.229999999999997 113.085 178.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -79.48 -36.12 39.16 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 110.063 -0.347 . . . . 73.329999999999998 110.063 177.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 46.0 tp -66.41 -49.09 67.96 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 123.189 0.595 . . . . 61.240000000000002 110.758 178.164 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.468 ' O ' ' HB2' ' A' ' 64' ' ' LYS . 89.3 mt -64.93 -35.47 81.26 Favored 'General case' 0 N--CA 1.468 0.456 0 C-N-CA 123.729 0.812 . . . . 73.430000000000007 110.77 -175.691 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.443 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 27.4 ttm180 -66.24 -47.08 74.93 Favored 'General case' 0 N--CA 1.472 0.649 0 O-C-N 123.875 0.734 . . . . 74.340000000000003 109.609 173.041 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -60.3 -53.73 54.2 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.514 0.726 . . . . 63.439999999999998 111.297 -175.154 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 19.6 pt -67.33 -25.96 34.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.043 0 C-N-CA 123.648 0.779 . . . . 73.0 111.165 -179.207 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -66.49 -44.11 83.56 Favored 'General case' 0 CA--C 1.546 0.817 0 N-CA-C 109.193 -0.669 . . . . 62.240000000000002 109.193 172.527 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.443 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 96.7 mt -62.47 -13.6 31.93 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 113.461 0.912 . . . . 70.510000000000005 113.461 -176.818 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.423 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 10.7 m170 -62.33 -31.23 71.82 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 123.699 0.799 . . . . 72.239999999999995 112.883 176.495 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.4 p -168.13 161.32 12.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 122.847 0.459 . . . . 40.450000000000003 110.896 -173.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -83.67 -152.9 14.33 Favored Glycine 0 C--N 1.346 1.126 0 CA-C-O 119.694 -0.503 . . . . 54.43 112.546 177.682 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 59.94 30.56 20.07 Favored 'General case' 0 N--CA 1.487 1.4 0 C-N-CA 124.311 1.045 . . . . 73.230000000000004 110.567 -177.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.4 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 87.0 mttt -128.3 143.1 46.87 Favored Pre-proline 0 N--CA 1.475 0.81 0 C-N-CA 123.639 0.776 . . . . 73.430000000000007 110.786 -174.018 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 25.5 Cg_endo -59.51 142.66 99.27 Favored 'Trans proline' 0 C--N 1.377 2.051 0 C-N-CA 123.287 2.658 . . . . 60.210000000000001 111.484 172.689 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 66.9 m-85 -87.18 -74.43 0.44 Allowed 'General case' 0 CA--C 1.54 0.585 0 C-N-CA 123.343 0.657 . . . . 74.219999999999999 109.494 -176.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.3 pttp . . . . . 0 CA--C 1.562 1.422 0 C-N-CA 123.985 0.914 . . . . 70.109999999999999 109.252 -176.472 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.9 mtm . . . . . 0 N--CA 1.473 0.703 0 N-CA-C 109.387 -0.598 . . . . 53.43 109.387 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -169.07 93.54 0.1 Allowed Glycine 0 C--N 1.342 0.889 0 N-CA-C 109.964 -1.254 . . . . 72.319999999999993 109.964 178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -84.72 137.51 33.18 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 122.992 0.517 . . . . 64.540000000000006 110.782 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 21.1 t-80 -138.74 95.9 3.05 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.155 -1.054 . . . . 74.420000000000002 108.155 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 60.2 t-80 -154.53 113.12 3.58 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 115.921 -0.582 . . . . 73.340000000000003 110.019 178.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -156.86 129.42 7.56 Favored 'General case' 0 N--CA 1.469 0.516 0 C-N-CA 124.114 0.966 . . . . 74.209999999999994 108.749 176.456 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 64.3 m80 -69.47 88.15 0.48 Allowed 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 123.573 0.749 . . . . 64.409999999999997 110.601 177.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 17.9 t60 -110.01 97.55 7.03 Favored 'General case' 0 N--CA 1.471 0.575 0 N-CA-C 107.59 -1.263 . . . . 74.450000000000003 107.59 174.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 27.9 t -157.05 137.82 13.29 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 120.948 0.404 . . . . 74.420000000000002 110.2 -177.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 70.3 m80 -77.98 93.17 4.4 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.704 0.802 . . . . 61.329999999999998 110.102 -176.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 82.4 mtp -116.01 88.36 21.6 Favored Pre-proline 0 CA--C 1.547 0.846 0 C-N-CA 123.84 0.856 . . . . 74.400000000000006 109.398 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 48.9 Cg_endo -85.68 178.46 4.35 Favored 'Trans proline' 0 C--N 1.375 1.936 0 C-N-CA 122.739 2.293 . . . . 71.129999999999995 112.362 178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -166.05 98.61 0.63 Allowed 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.539 -0.911 . . . . 54.340000000000003 108.539 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -152.1 66.82 0.33 Allowed Glycine 0 C--N 1.347 1.166 0 N-CA-C 111.973 -0.451 . . . . 72.510000000000005 111.973 -176.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -77.14 134.46 38.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.047 0.539 . . . . 54.140000000000001 110.173 175.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' H ' HD23 ' A' ' 16' ' ' LEU . 2.2 pt? -120.69 164.42 16.58 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 124.044 0.938 . . . . 75.129999999999995 109.871 -178.092 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -142.93 131.31 22.2 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.374 0.67 . . . . 74.319999999999993 110.159 -178.443 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 36.9 m -138.54 136.57 36.21 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.745 0.818 . . . . 64.140000000000001 110.108 -175.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -161.23 174.73 13.19 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 123.912 0.885 . . . . 71.310000000000002 109.557 178.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 12.4 p -150.17 153.04 11.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.888 0 C-N-CA 123.537 0.735 . . . . 62.0 109.758 178.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.0 m -133.45 144.92 49.78 Favored 'General case' 0 N--CA 1.47 0.553 0 C-N-CA 123.674 0.79 . . . . 73.25 110.134 -179.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -77.85 164.29 51.64 Favored Glycine 0 C--N 1.344 1.013 0 O-C-N 123.823 0.702 . . . . 74.25 112.287 171.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 69.5 mtm -130.49 175.73 8.74 Favored 'General case' 0 N--CA 1.483 1.225 0 C-N-CA 123.647 0.779 . . . . 74.519999999999996 109.49 -179.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 12.0 p -151.67 142.53 15.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.644 0 C-N-CA 123.089 0.556 . . . . 73.25 109.55 176.564 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 34.0 t -143.48 119.0 10.34 Favored 'General case' 0 N--CA 1.466 0.366 0 N-CA-C 108.52 -0.919 . . . . 62.240000000000002 108.52 -177.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -77.03 160.02 4.95 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.418 0 C-N-CA 123.163 0.585 . . . . 70.519999999999996 111.916 -173.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -142.08 164.79 26.78 Favored Glycine 0 C--N 1.349 1.274 0 CA-C-O 119.383 -0.676 . . . . 63.25 112.359 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_endo -79.18 138.52 14.3 Favored 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 123.134 2.556 . . . . 62.109999999999999 112.869 -175.448 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 53.4 t30 -77.95 80.46 4.39 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 122.115 0.96 . . . . 75.120000000000005 109.788 176.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.6 m -71.62 -24.38 23.36 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.83 0 CA-C-N 114.969 -1.014 . . . . 74.310000000000002 111.307 179.422 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 9.8 tt -56.91 -39.87 75.23 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 124.025 0.93 . . . . 70.219999999999999 111.167 178.44 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 16.6 tpt -57.29 -41.08 79.09 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.831 0.852 . . . . 62.140000000000001 111.618 178.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 48.6 t -70.68 -47.7 62.47 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-N 115.578 -0.737 . . . . 54.140000000000001 110.07 179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 29.6 t60 -57.93 -39.47 78.09 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.261 1.024 . . . . 65.120000000000005 111.079 -179.4 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 83.6 tttt -68.63 -57.31 5.9 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 124.827 1.251 . . . . 75.5 110.871 -175.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 1.3 tmm_? -64.93 -39.05 92.91 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 123.785 0.834 . . . . 64.5 110.356 -175.497 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 32.6 t -61.52 -19.67 62.36 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 123.614 0.765 . . . . 72.239999999999995 112.081 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.2 t-80 -125.22 4.47 7.82 Favored 'General case' 0 CA--C 1.554 1.115 0 C-N-CA 123.498 0.719 . . . . 74.409999999999997 111.228 -175.098 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 6.6 t -70.99 -21.15 62.34 Favored 'General case' 0 N--CA 1.484 1.226 0 N-CA-C 112.57 0.581 . . . . 71.430000000000007 112.57 -171.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -153.73 -110.71 0.41 Allowed Glycine 0 C--N 1.337 0.594 0 N-CA-C 111.192 -0.763 . . . . 72.239999999999995 111.192 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 43.4 tt0 -73.07 126.5 30.13 Favored 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 123.748 0.819 . . . . 74.430000000000007 111.032 179.466 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 32.6 ptt180 -76.83 124.14 87.55 Favored Pre-proline 0 CA--C 1.554 1.131 0 CA-C-N 115.745 -0.661 . . . . 72.329999999999998 109.228 168.513 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 36.6 Cg_endo -67.74 171.33 12.29 Favored 'Trans proline' 0 C--N 1.372 1.801 0 C-N-CA 121.794 1.663 . . . . 62.119999999999997 111.592 174.481 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.622 ' HB3' HD22 ' A' ' 59' ' ' LEU . 82.6 m-85 -76.76 132.36 39.23 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 109.796 -0.446 . . . . 72.430000000000007 109.796 -177.056 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 33.0 m80 -136.56 131.2 33.51 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 109.465 -0.568 . . . . 75.319999999999993 109.465 -177.888 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 43.1 t -100.28 118.87 37.46 Favored 'General case' 0 C--O 1.242 0.66 0 N-CA-C 108.151 -1.055 . . . . 74.25 108.151 165.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 73.3 m-20 -65.5 -60.97 2.39 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 124.169 0.918 . . . . 45.399999999999999 112.282 -171.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.7 pt20 -87.48 64.28 8.08 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 122.407 1.099 . . . . 74.010000000000005 111.203 -174.352 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 26.6 p 178.44 -31.81 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 126.11 1.764 . . . . 62.009999999999998 108.38 169.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 75.65 44.19 21.39 Favored Glycine 0 C--N 1.352 1.432 0 N-CA-C 111.709 -0.556 . . . . 63.119999999999997 111.709 -176.48 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -108.77 101.03 10.19 Favored 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 123.504 0.722 . . . . 61.340000000000003 109.352 179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 53.3 p -86.37 138.71 31.59 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 123.248 0.619 . . . . 64.299999999999997 110.032 175.751 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -127.78 151.05 49.5 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.621 0.768 . . . . 72.420000000000002 110.41 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.4 HG23 ' HG2' ' A' ' 55' ' ' GLN . 8.8 t -97.62 -22.13 16.66 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.301 0.64 . . . . 63.530000000000001 110.173 171.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.4 ' HG2' HG23 ' A' ' 54' ' ' THR . 19.3 mm100 -106.77 129.05 54.7 Favored 'General case' 0 C--N 1.347 0.496 0 N-CA-C 108.79 -0.819 . . . . 73.150000000000006 108.79 -179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -62.12 -38.72 90.0 Favored 'General case' 0 C--O 1.21 -0.989 0 C-N-CA 123.274 0.63 . . . . 65.349999999999994 110.581 178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . 0.466 ' O ' ' HD3' ' A' ' 61' ' ' ARG . . . -58.18 -37.48 86.63 Favored Glycine 0 C--N 1.349 1.285 0 O-C-N 124.456 1.098 . . . . 71.129999999999995 112.731 179.181 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -64.04 -42.77 96.96 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.155 0.582 . . . . 75.5 110.235 177.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.622 HD22 ' HB3' ' A' ' 44' ' ' PHE . 58.0 tp -70.9 -36.12 72.59 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 122.796 0.438 . . . . 75.019999999999996 111.001 176.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 72.6 mt -71.75 -32.96 68.27 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 123.68 0.792 . . . . 74.430000000000007 111.627 -174.55 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.466 ' HD3' ' O ' ' A' ' 57' ' ' GLY . 4.2 mpt_? -78.86 -31.87 45.74 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.798 0.439 . . . . 73.150000000000006 110.087 172.072 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 58.3 t60 -65.35 -43.64 90.21 Favored 'General case' 0 N--CA 1.482 1.131 0 C-N-CA 124.145 0.978 . . . . 73.099999999999994 111.724 -177.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.448 ' HA ' ' CD2' ' A' ' 66' ' ' HIS . 20.8 pt -66.78 -24.79 33.27 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.075 0 C-N-CA 123.809 0.843 . . . . 71.019999999999996 112.669 -178.539 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.449 ' HD3' ' HA ' ' A' ' 61' ' ' ARG . 29.3 mtpp -62.25 -33.41 74.55 Favored 'General case' 0 CA--C 1.551 0.984 0 C-N-CA 123.701 0.8 . . . . 73.129999999999995 110.728 174.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 9.5 mp -67.4 -26.73 66.58 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.033 0.533 . . . . 74.319999999999993 111.24 177.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.448 ' CD2' ' HA ' ' A' ' 63' ' ' ILE . 35.3 m-70 -66.44 -29.69 69.88 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.309 0.644 . . . . 75.219999999999999 111.025 176.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 24.0 m -88.75 3.63 50.28 Favored 'General case' 0 CA--C 1.547 0.828 0 C-N-CA 123.372 0.669 . . . . 74.010000000000005 110.969 177.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 109.68 -140.64 15.84 Favored Glycine 0 C--N 1.361 1.925 0 CA-C-O 120.072 -0.293 . . . . 53.240000000000002 113.554 175.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.0 tm-20 -86.18 96.42 9.91 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 108.548 -0.908 . . . . 63.530000000000001 108.548 -173.726 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.85 169.13 6.72 Favored Pre-proline 0 CA--C 1.547 0.863 0 C-N-CA 124.237 1.015 . . . . 63.200000000000003 108.357 173.425 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.0 Cg_exo -42.89 96.84 0.02 OUTLIER 'Trans proline' 0 C--N 1.392 2.835 0 C-N-CA 123.075 2.517 . . . . 62.149999999999999 113.949 171.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -127.77 -45.46 1.45 Allowed 'General case' 0 N--CA 1.469 0.499 0 C-N-CA 125.734 1.614 . . . . 72.400000000000006 108.279 -174.359 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 39.9 ttmt . . . . . 0 C--O 1.248 1.009 0 C-N-CA 124.709 1.203 . . . . 73.549999999999997 108.899 -178.144 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.8 mtt . . . . . 0 N--CA 1.485 1.286 0 N-CA-C 108.91 -0.774 . . . . 51.009999999999998 108.91 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -140.56 90.37 0.18 Allowed Glycine 0 C--N 1.351 1.367 0 O-C-N 123.422 0.451 . . . . 52.100000000000001 112.055 -177.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 15.9 t-80 -118.42 49.48 1.28 Allowed 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 122.056 0.931 . . . . 74.409999999999997 108.83 175.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 26.7 m170 -82.38 93.43 7.19 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 108.695 -0.854 . . . . 62.020000000000003 108.695 175.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -110.35 15.02 22.51 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.663 0.785 . . . . 75.319999999999993 111.088 179.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.02 139.52 9.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.352 1.061 . . . . 72.120000000000005 109.026 169.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.8 m-70 -129.35 95.99 4.17 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.276 1.03 . . . . 75.340000000000003 109.059 178.335 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.1 t-160 59.08 87.22 0.08 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.568 1.147 . . . . 73.420000000000002 110.4 -176.304 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 25.1 m -72.47 165.44 24.61 Favored 'General case' 0 CA--C 1.549 0.927 0 C-N-CA 123.747 0.819 . . . . 75.439999999999998 111.547 -177.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 36.6 m80 -139.44 164.22 30.46 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.236 1.015 . . . . 74.209999999999994 109.633 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 55.5 mtt -119.11 155.07 53.61 Favored Pre-proline 0 N--CA 1.478 0.974 0 C-N-CA 124.693 1.197 . . . . 74.120000000000005 109.085 171.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_endo -61.62 170.89 5.07 Favored 'Trans proline' 0 C--N 1.38 2.188 0 C-N-CA 123.056 2.504 . . . . 74.450000000000003 113.089 175.433 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.8 p30 -153.69 178.09 10.25 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.756 0.822 . . . . 71.439999999999998 110.79 -176.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 127.95 106.34 1.33 Allowed Glycine 0 C--N 1.342 0.89 0 N-CA-C 110.459 -1.057 . . . . 51.399999999999999 110.459 -179.084 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.86 147.26 42.2 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.893 0.877 . . . . 73.129999999999995 110.579 -178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -129.4 155.66 45.33 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.405 1.082 . . . . 64.209999999999994 109.432 179.1 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -127.87 134.53 49.4 Favored 'General case' 0 N--CA 1.478 0.943 0 N-CA-C 109.194 -0.669 . . . . 55.119999999999997 109.194 175.771 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 25.2 p -100.89 101.08 11.82 Favored 'General case' 0 C--O 1.236 0.351 0 N-CA-C 108.942 -0.762 . . . . 73.109999999999999 108.942 176.178 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -108.9 117.8 35.15 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 108.699 -0.852 . . . . 63.450000000000003 108.699 171.661 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 10.2 p -90.18 145.34 7.53 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.96 0 C-N-CA 123.691 0.796 . . . . 74.129999999999995 111.04 -173.052 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 53.7 t -89.9 141.37 28.71 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.626 0.77 . . . . 75.430000000000007 109.276 173.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -137.81 144.51 15.86 Favored Glycine 0 C--N 1.339 0.71 0 O-C-N 123.462 0.477 . . . . 64.530000000000001 112.428 -178.382 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.0 ttt -148.55 118.84 7.3 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.099 -0.704 . . . . 74.040000000000006 109.099 177.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 32.8 m -84.03 173.97 0.87 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 CA-C-O 121.398 0.618 . . . . 71.099999999999994 109.935 174.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 62.5 m -146.25 165.89 27.89 Favored 'General case' 0 C--O 1.239 0.537 0 C-N-CA 124.039 0.936 . . . . 70.049999999999997 109.262 176.033 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 2.8 pp -125.38 158.85 33.45 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 C-N-CA 123.401 0.68 . . . . 52.450000000000003 109.189 172.122 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -148.08 95.08 0.16 Allowed Glycine 0 CA--C 1.523 0.547 0 CA-C-O 119.131 -0.816 . . . . 42.340000000000003 112.134 -178.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -74.59 155.79 44.9 Favored 'Trans proline' 0 C--N 1.382 2.314 0 C-N-CA 122.823 2.349 . . . . 71.349999999999994 113.479 -178.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -76.44 73.18 3.19 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.01 0.924 . . . . 65.299999999999997 108.919 172.051 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 35.1 m -60.16 -29.99 44.94 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.311 0 C-N-CA 123.211 0.604 . . . . 74.420000000000002 112.363 -171.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 6.5 mp -67.0 -48.76 67.44 Favored 'General case' 0 N--CA 1.482 1.156 0 C-N-CA 123.468 0.707 . . . . 74.109999999999999 110.769 176.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 50.0 mtt -69.89 -38.71 76.42 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.9 0.88 . . . . 73.409999999999997 111.607 -174.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.8 t -69.64 -36.53 71.05 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.936 0 C-N-CA 123.044 0.538 . . . . 64.239999999999995 110.697 178.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 42.8 t60 -67.37 -42.76 82.87 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.677 0.791 . . . . 73.209999999999994 109.806 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.433 ' HG2' ' HA2' ' A' ' 40' ' ' GLY . 87.8 tttt -67.79 -42.23 81.95 Favored 'General case' 0 CA--C 1.545 0.756 0 C-N-CA 123.932 0.893 . . . . 73.420000000000002 111.064 179.679 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -67.05 -41.17 86.94 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.478 1.111 . . . . 72.25 111.09 -178.074 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 72.9 p -66.27 -22.81 66.31 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.672 0.389 . . . . 71.299999999999997 111.669 -178.087 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 78.6 m-70 -73.53 -70.34 0.38 Allowed 'General case' 0 N--CA 1.477 0.883 0 N-CA-C 108.373 -0.973 . . . . 72.549999999999997 108.373 164.598 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -176.8 -43.62 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.597 0 C-N-CA 126.005 1.722 . . . . 72.340000000000003 108.343 174.648 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.433 ' HA2' ' HG2' ' A' ' 35' ' ' LYS . . . 97.9 20.41 21.41 Favored Glycine 0 C--N 1.336 0.564 0 CA-C-N 115.111 -0.95 . . . . 73.099999999999994 112.647 -175.618 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -104.39 157.05 17.42 Favored 'General case' 0 N--CA 1.475 0.777 0 C-N-CA 123.496 0.718 . . . . 74.129999999999995 110.941 -176.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 46.4 mtm180 -61.31 133.79 93.1 Favored Pre-proline 0 CA--C 1.547 0.843 0 C-N-CA 123.848 0.859 . . . . 73.510000000000005 111.297 177.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 57.4 Cg_endo -70.51 117.32 5.06 Favored 'Trans proline' 0 C--N 1.367 1.526 0 C-N-CA 122.498 2.132 . . . . 51.210000000000001 111.326 175.322 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 59' ' ' LEU . 98.2 m-85 -75.15 93.69 2.83 Favored 'General case' 0 N--CA 1.47 0.536 0 C-N-CA 123.696 0.798 . . . . 74.120000000000005 110.977 -174.338 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 34.2 m170 -93.92 149.33 21.33 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.391 0.677 . . . . 71.109999999999999 109.79 178.491 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.472 ' SG ' ' CE1' ' A' ' 66' ' ' HIS . 8.0 t -66.27 -95.91 0.0 OUTLIER 'General case' 0 CA--C 1.56 1.35 0 C-N-CA 123.618 0.767 . . . . 64.319999999999993 111.57 -178.463 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -153.16 -75.32 0.13 Allowed 'General case' 0 C--N 1.362 1.133 0 C-N-CA 124.951 1.3 . . . . 72.239999999999995 108.569 178.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -135.13 51.54 2.08 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.743 0.817 . . . . 71.420000000000002 110.595 -177.242 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 20.9 p -153.62 -170.87 3.72 Favored 'General case' 0 N--CA 1.483 1.207 0 CA-C-N 115.716 -0.674 . . . . 71.530000000000001 110.205 -178.422 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -97.91 5.33 61.61 Favored Glycine 0 C--N 1.355 1.637 0 CA-C-N 116.417 -0.356 . . . . 64.129999999999995 113.398 -175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.12 123.35 26.28 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 116.99 0.395 . . . . 74.120000000000005 110.593 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 69.7 m -137.88 127.42 25.01 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 108.341 -0.985 . . . . 72.349999999999994 108.341 176.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -118.87 177.48 4.84 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 124.313 1.045 . . . . 74.010000000000005 109.978 -174.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 10.9 t -130.43 -18.84 3.15 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.647 0.779 . . . . 72.010000000000005 109.616 174.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 16.5 mm100 -99.22 149.94 22.58 Favored 'General case' 0 C--O 1.245 0.821 0 C-N-CA 123.609 0.764 . . . . 71.409999999999997 109.325 179.263 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.0 mmtp -64.82 -61.03 2.42 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.82 0.848 . . . . 64.530000000000001 110.271 -176.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -59.27 -29.35 65.78 Favored Glycine 0 C--N 1.35 1.321 0 O-C-N 124.681 1.238 . . . . 50.229999999999997 114.06 -174.499 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 17.0 m120 -70.18 -35.65 74.12 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.048 0.539 . . . . 51.219999999999999 111.179 177.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.6 tp -75.95 -42.39 48.71 Favored 'General case' 0 N--CA 1.474 0.748 0 CA-C-O 120.694 0.283 . . . . 74.209999999999994 110.769 174.084 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 91.8 mt -63.72 -40.33 96.5 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.089 0.956 . . . . 74.200000000000003 111.985 -172.415 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.4 ' O ' ' HG ' ' A' ' 65' ' ' LEU . 14.1 ptm180 -67.54 -37.53 82.84 Favored 'General case' 0 N--CA 1.476 0.828 0 O-C-N 123.528 0.518 . . . . 64.319999999999993 110.835 176.595 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 72.5 t60 -68.38 -55.46 11.87 Favored 'General case' 0 C--N 1.349 0.58 0 C-N-CA 123.609 0.764 . . . . 75.530000000000001 110.969 -172.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 29.3 pt -64.06 -26.98 41.78 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.925 0 C-N-CA 123.922 0.889 . . . . 63.450000000000003 111.231 -179.38 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.408 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 32.5 ttpt -66.99 -43.77 82.1 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 123.878 0.871 . . . . 60.399999999999999 110.992 174.642 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 61' ' ' ARG . 84.2 mt -68.29 -16.68 64.04 Favored 'General case' 0 N--CA 1.48 1.035 0 CA-C-N 115.681 -0.69 . . . . 51.539999999999999 112.506 -178.422 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.472 ' CE1' ' SG ' ' A' ' 46' ' ' CYS . 10.5 m170 -56.35 -30.02 62.11 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.515 0.726 . . . . 74.430000000000007 111.353 173.337 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 43.2 m 68.99 174.45 0.29 Allowed 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 124.362 1.065 . . . . 74.549999999999997 111.438 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 85.03 -60.4 4.8 Favored Glycine 0 C--N 1.351 1.389 0 N-CA-C 111.559 -0.616 . . . . 65.340000000000003 111.559 -178.424 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.533 ' HG2' ' H ' ' A' ' 70' ' ' LYS . 15.4 tt0 -84.59 -170.43 3.11 Favored 'General case' 0 CA--C 1.568 1.673 0 C-N-CA 123.484 0.714 . . . . 70.430000000000007 109.457 173.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.533 ' H ' ' HG2' ' A' ' 69' ' ' GLU . 0.8 OUTLIER 70.23 132.18 0.04 OUTLIER Pre-proline 0 N--CA 1.49 1.545 0 C-N-CA 125.197 1.399 . . . . 73.430000000000007 111.391 -174.713 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -64.81 122.92 10.9 Favored 'Trans proline' 0 C--N 1.382 2.303 0 C-N-CA 122.493 2.129 . . . . 74.329999999999998 111.827 179.587 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -66.17 -33.49 75.88 Favored 'General case' 0 N--CA 1.477 0.908 0 CA-C-N 115.803 -0.635 . . . . 63.109999999999999 110.046 179.534 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 75.7 mmtt . . . . . 0 C--O 1.246 0.913 0 CA-C-N 115.268 -0.878 . . . . 63.009999999999998 109.017 173.182 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 61.4 mtt . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.076 -0.713 . . . . 71.420000000000002 109.076 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -155.15 21.18 0.57 Allowed Glycine 0 C--N 1.343 0.926 0 CA-C-N 115.44 -0.8 . . . . 52.43 112.028 179.564 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 58.5 t-80 -75.3 84.85 2.46 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 109.048 -0.723 . . . . 73.109999999999999 109.048 177.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 40.7 t-80 -111.2 108.2 17.78 Favored 'General case' 0 C--O 1.239 0.522 0 CA-C-N 115.012 -0.995 . . . . 65.510000000000005 109.728 -176.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 25.2 p80 -88.54 124.77 34.35 Favored 'General case' 0 CA--C 1.546 0.81 0 N-CA-C 109.669 -0.493 . . . . 74.450000000000003 109.669 178.018 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.7 t60 -144.3 105.09 4.17 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.328 0.651 . . . . 61.439999999999998 109.279 174.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.6 p80 -165.71 128.25 2.06 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 107.356 -1.349 . . . . 65.439999999999998 107.356 174.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 63.0 t-80 -149.4 81.39 1.41 Allowed 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 108.923 -0.769 . . . . 75.430000000000007 108.923 -175.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.6 t -81.26 104.83 12.0 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-N 115.334 -0.848 . . . . 53.030000000000001 111.072 -175.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 49.1 t-80 -121.23 76.78 1.26 Allowed 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 107.191 -1.411 . . . . 64.409999999999997 107.191 170.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 85.0 mtp -93.45 123.09 61.34 Favored Pre-proline 0 N--CA 1.479 1.02 0 CA-C-N 115.262 -0.881 . . . . 73.439999999999998 110.838 -172.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 58.2 Cg_endo -72.19 114.6 4.03 Favored 'Trans proline' 0 C--N 1.378 2.094 0 C-N-CA 122.497 2.132 . . . . 62.140000000000001 111.465 178.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 26.3 t-20 -143.06 146.72 34.07 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.367 0.667 . . . . 73.540000000000006 110.974 -174.709 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 99.16 154.36 28.44 Favored Glycine 0 C--N 1.349 1.278 0 O-C-N 123.833 0.708 . . . . 75.120000000000005 113.045 172.263 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 63.7 mttp -133.95 114.42 13.25 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 107.788 -1.19 . . . . 74.319999999999993 107.788 175.685 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -68.7 -43.57 75.75 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 123.748 0.819 . . . . 74.239999999999995 112.258 -167.22 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.5 pptp? -142.39 172.44 12.69 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.101 0.56 . . . . 73.349999999999994 111.399 -172.629 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 19.8 p -139.47 129.02 24.38 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 124.122 0.969 . . . . 74.439999999999998 109.146 176.112 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -66.12 129.4 39.69 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.082 0.953 . . . . 70.109999999999999 111.306 -174.056 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 29.4 m -75.49 140.15 17.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.939 0 C-N-CA 122.929 0.492 . . . . 62.32 110.801 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 42.7 t -131.07 101.96 5.82 Favored 'General case' 0 C--O 1.242 0.675 0 N-CA-C 108.586 -0.894 . . . . 62.210000000000001 108.586 178.783 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -162.46 142.91 8.28 Favored Glycine 0 C--N 1.347 1.173 0 CA-C-N 116.144 -0.48 . . . . 62.140000000000001 112.174 -176.635 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 27.9 ttt -139.67 112.35 7.89 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 124.307 1.043 . . . . 62.450000000000003 108.789 -175.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -134.48 136.0 53.25 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.944 0 CA-C-O 121.285 0.564 . . . . 73.200000000000003 110.653 -178.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 22.5 p -132.5 114.08 13.86 Favored 'General case' 0 C--O 1.244 0.808 0 C-N-CA 124.188 0.995 . . . . 63.219999999999999 108.388 171.449 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 40.0 pt -87.47 176.34 0.66 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.841 0.456 . . . . 63.119999999999997 110.61 177.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -161.54 124.61 1.33 Allowed Glycine 0 C--N 1.339 0.726 0 CA-C-O 118.21 -1.328 . . . . 64.150000000000006 110.487 -179.097 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 51.5 Cg_exo -56.25 172.11 0.71 Allowed 'Trans proline' 0 C--N 1.383 2.353 0 C-N-CA 123.175 2.584 . . . . 71.430000000000007 113.609 178.093 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.475 ' O ' HG23 ' A' ' 33' ' ' VAL . 2.9 m-20 -81.04 25.21 0.47 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 115.461 -0.79 . . . . 65.299999999999997 111.659 -179.025 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.1 p -55.93 -38.89 54.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 C-N-CA 124.19 0.996 . . . . 75.219999999999999 112.49 -177.33 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.0 -39.03 72.65 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.849 0.86 . . . . 75.140000000000001 109.0 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . 0.522 ' O ' ' HG2' ' A' ' 36' ' ' ARG . 46.7 ttm -63.82 -45.25 90.42 Favored 'General case' 0 CA--C 1.545 0.765 0 CA-C-N 115.296 -0.865 . . . . 62.420000000000002 110.324 177.144 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.475 HG23 ' O ' ' A' ' 29' ' ' ASN . 65.8 t -66.97 -37.59 79.7 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 123.757 0.823 . . . . 74.219999999999999 110.506 -177.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 53.7 t-80 -63.33 -39.17 93.81 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.248 0.619 . . . . 75.0 110.601 176.666 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -62.43 -44.01 97.44 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.461 0.704 . . . . 64.349999999999994 110.35 173.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.522 ' HG2' ' O ' ' A' ' 32' ' ' MET . 15.9 mmm180 -69.36 -31.29 69.62 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.271 0.628 . . . . 74.450000000000003 111.523 -177.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 31.5 t -76.4 -31.67 58.09 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 123.927 0.891 . . . . 74.430000000000007 110.173 179.198 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 11.7 t-80 -77.3 -34.96 55.36 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 123.637 0.775 . . . . 74.239999999999995 111.022 -179.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 38.9 p -85.32 145.0 27.73 Favored 'General case' 0 CA--C 1.542 0.65 0 N-CA-C 109.219 -0.66 . . . . 61.140000000000001 109.219 172.624 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -66.84 105.35 1.3 Allowed Glycine 0 C--N 1.349 1.291 0 CA-C-O 119.683 -0.51 . . . . 64.450000000000003 112.256 178.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -61.84 -40.83 96.66 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.181 0.592 . . . . 64.439999999999998 110.469 -179.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 75.6 mtm180 -96.67 98.25 4.23 Favored Pre-proline 0 CA--C 1.543 0.696 0 N-CA-C 106.276 -1.75 . . . . 75.0 106.276 162.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_endo -89.13 112.75 0.59 Allowed 'Trans proline' 0 C--N 1.372 1.811 0 C-N-CA 122.455 2.103 . . . . 71.200000000000003 111.897 -170.648 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.514 ' HB3' HD22 ' A' ' 59' ' ' LEU . 70.0 m-85 -70.96 91.31 0.86 Allowed 'General case' 0 N--CA 1.47 0.556 0 C-N-CA 123.645 0.778 . . . . 71.400000000000006 109.759 -177.555 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -100.51 122.46 43.26 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.302 0.641 . . . . 72.129999999999995 110.193 -176.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 37.5 t -65.53 100.61 0.52 Allowed 'General case' 0 C--O 1.238 0.462 0 N-CA-C 109.031 -0.729 . . . . 75.530000000000001 109.031 166.028 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 32.5 m-80 -58.41 -32.86 69.03 Favored 'General case' 0 N--CA 1.479 1.003 0 CA-C-N 115.266 -0.879 . . . . 71.519999999999996 110.832 178.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -90.85 66.89 6.07 Favored 'General case' 0 C--O 1.251 1.179 0 C-N-CA 124.039 0.936 . . . . 52.310000000000002 111.628 175.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 7.6 p 155.87 -44.73 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.696 0 C-N-CA 127.583 2.353 . . . . 73.319999999999993 110.486 164.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 106.84 21.82 7.97 Favored Glycine 0 C--N 1.342 0.907 0 CA-C-N 115.752 -0.658 . . . . 72.319999999999993 113.051 -173.693 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.76 142.96 36.58 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.032 0.533 . . . . 62.409999999999997 109.77 175.494 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 65.8 p -115.6 134.73 54.77 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.272 0.629 . . . . 63.140000000000001 111.041 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.4 ' HB2' ' HB2' ' A' ' 44' ' ' PHE . 54.0 m-85 -134.71 159.28 41.8 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.29 1.036 . . . . 72.120000000000005 109.002 -179.203 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 14.5 t -123.29 9.64 9.19 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.469 0.708 . . . . 74.409999999999997 109.956 175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -129.89 147.96 51.71 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 124.236 1.015 . . . . 53.409999999999997 111.186 -178.753 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -65.11 -56.34 13.54 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 124.339 1.055 . . . . 62.399999999999999 111.126 176.483 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.37 -30.56 55.59 Favored Glycine 0 C--N 1.344 1.016 0 O-C-N 124.104 0.877 . . . . 50.119999999999997 114.22 -175.111 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 -73.21 -46.83 48.08 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.586 0.754 . . . . 62.509999999999998 111.046 177.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.514 HD22 ' HB3' ' A' ' 44' ' ' PHE . 49.2 tp -64.76 -50.97 64.73 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.947 0.499 . . . . 73.510000000000005 110.951 -177.743 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 78.5 mt -61.76 -37.27 83.66 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 124.305 1.042 . . . . 73.430000000000007 111.56 -175.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 78.2 ttt180 -71.8 -30.24 65.31 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.27 1.028 . . . . 74.219999999999999 111.492 178.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -76.88 -48.75 17.41 Favored 'General case' 0 CA--C 1.551 0.998 0 CA-C-N 116.102 -0.499 . . . . 73.409999999999997 110.947 177.49 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.4 pt -71.3 -26.22 26.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.015 0 C-N-CA 123.191 0.597 . . . . 74.120000000000005 112.543 -170.174 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -59.87 -29.22 68.17 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 123.094 0.557 . . . . 74.439999999999998 111.459 177.336 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 61.1 mt -63.42 -31.39 72.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.405 0.682 . . . . 72.530000000000001 110.685 178.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 51.8 m-70 -87.22 -21.08 26.07 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 124.461 1.104 . . . . 74.109999999999999 111.06 177.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 19.1 m -80.33 103.44 10.2 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 123.511 0.724 . . . . 74.530000000000001 109.82 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 68.31 -117.14 8.13 Favored Glycine 0 C--N 1.345 1.059 0 CA-C-N 116.073 -0.512 . . . . 63.310000000000002 112.374 -178.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -137.32 90.77 2.55 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.43 0.692 . . . . 74.25 109.854 -176.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.74 156.98 37.07 Favored Pre-proline 0 N--CA 1.486 1.341 0 N-CA-C 108.308 -0.997 . . . . 72.239999999999995 108.308 168.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 55.7 Cg_endo -67.64 171.27 12.26 Favored 'Trans proline' 0 C--N 1.379 2.142 0 C-N-CA 122.34 2.027 . . . . 75.420000000000002 112.821 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 57.3 t80 64.29 79.72 0.25 Allowed 'General case' 0 CA--C 1.549 0.908 0 C-N-CA 124.226 1.01 . . . . 74.200000000000003 109.326 -170.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.3 ptpt . . . . . 0 CA--C 1.56 1.357 0 CA-C-N 114.976 -1.011 . . . . 64.140000000000001 110.893 -178.661 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ptt? . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 110.285 -0.265 . . . . 63.009999999999998 110.285 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.27 -176.31 40.23 Favored Glycine 0 C--N 1.337 0.583 0 CA-C-N 115.942 -0.572 . . . . 55.229999999999997 112.011 179.627 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 28.8 p-80 -152.77 131.02 12.0 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 124.071 0.948 . . . . 74.430000000000007 109.215 177.16 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 50.5 p-80 -156.4 98.75 1.86 Allowed 'General case' 0 CA--C 1.544 0.731 0 CA-C-O 121.864 0.84 . . . . 73.099999999999994 110.323 -175.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.2 m-70 -130.18 38.28 3.8 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 124.353 1.061 . . . . 71.409999999999997 108.335 173.322 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 61.8 m80 -64.3 93.41 0.09 Allowed 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 123.948 0.899 . . . . 71.510000000000005 113.199 -169.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 40.1 p-80 -168.87 144.49 3.39 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 125.113 1.365 . . . . 65.129999999999995 107.732 168.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 80.5 m-70 -115.65 165.39 13.09 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.113 0.565 . . . . 73.439999999999998 111.592 -175.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.5 t -137.46 97.05 3.37 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.459 0.704 . . . . 73.25 109.191 179.071 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -138.38 112.01 8.24 Favored 'General case' 0 N--CA 1.473 0.701 0 N-CA-C 108.132 -1.062 . . . . 71.200000000000003 108.132 172.235 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 32.6 ttp -84.08 105.67 6.35 Favored Pre-proline 0 CA--C 1.548 0.881 0 C-N-CA 123.721 0.808 . . . . 74.129999999999995 109.577 174.582 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 1.0 OUTLIER -84.7 127.91 3.79 Favored 'Trans proline' 0 C--N 1.378 2.079 0 C-N-CA 122.726 2.284 . . . . 70.200000000000003 110.925 178.032 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -166.28 155.8 11.67 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.121 0.568 . . . . 60.210000000000001 111.509 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -166.18 173.89 41.71 Favored Glycine 0 N--CA 1.466 0.663 0 N-CA-C 110.429 -1.069 . . . . 23.34 110.429 176.137 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 45.8 mmtm -131.98 107.79 8.92 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 109.179 -0.674 . . . . 74.400000000000006 109.179 179.215 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.63 76.76 1.0 Allowed 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 121.95 0.881 . . . . 73.329999999999998 110.235 179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 65.9 mttm -77.08 102.93 6.73 Favored 'General case' 0 N--CA 1.48 1.038 0 CA-C-N 115.175 -0.92 . . . . 64.219999999999999 110.359 179.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 7.0 m -69.04 135.38 50.75 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.577 0.751 . . . . 65.219999999999999 111.024 -177.28 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -74.85 141.4 44.24 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.261 0.624 . . . . 74.439999999999998 111.724 -176.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 7.1 p -114.2 137.65 46.76 Favored 'Isoleucine or valine' 0 C--O 1.24 0.589 0 N-CA-C 108.798 -0.816 . . . . 53.119999999999997 108.798 170.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.0 t -143.24 149.61 38.15 Favored 'General case' 0 C--O 1.241 0.65 0 C-N-CA 123.571 0.748 . . . . 63.039999999999999 110.222 -176.529 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -98.25 125.83 8.67 Favored Glycine 0 C--N 1.347 1.139 0 N-CA-C 111.195 -0.762 . . . . 70.420000000000002 111.195 175.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 25.5 ptm -80.03 144.05 33.54 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 117.707 0.754 . . . . 61.240000000000002 110.763 177.151 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 33.0 m -79.92 161.59 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 N-CA-C 109.674 -0.491 . . . . 71.010000000000005 109.674 169.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 48.1 t -149.72 134.85 18.06 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 122.779 0.431 . . . . 70.040000000000006 110.277 178.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 64.8 mt -113.91 150.96 15.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.732 0 N-CA-C 107.895 -1.15 . . . . 72.439999999999998 107.895 172.355 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -72.73 -176.53 30.02 Favored Glycine 0 CA--C 1.537 1.414 0 N-CA-C 114.058 0.383 . . . . 52.329999999999998 114.058 176.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 81.1 Cg_endo -75.02 167.12 27.72 Favored 'Trans proline' 0 C--N 1.37 1.687 0 C-N-CA 123.241 2.627 . . . . 75.219999999999999 112.377 179.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 25.4 p-10 -84.0 34.3 0.5 Allowed 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.012 0.525 . . . . 72.109999999999999 111.714 -177.019 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.466 HG23 HD22 ' A' ' 31' ' ' LEU . 12.2 m -61.0 -31.25 49.4 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.8 0 C-N-CA 123.479 0.712 . . . . 72.030000000000001 112.722 -176.422 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.466 HD22 HG23 ' A' ' 30' ' ' VAL . 2.9 mm? -66.92 -44.94 79.41 Favored 'General case' 0 N--CA 1.48 1.072 0 N-CA-C 109.05 -0.722 . . . . 73.25 109.05 175.391 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 13.4 tpt -66.12 -39.24 89.75 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.569 0.748 . . . . 71.349999999999994 112.592 -177.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.457 HG12 ' HA ' ' A' ' 30' ' ' VAL . 13.3 p -68.39 -35.38 70.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 CA-C-N 118.192 0.451 . . . . 73.019999999999996 110.663 -179.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 33.9 m80 -70.84 -32.96 70.15 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.124 0.57 . . . . 72.120000000000005 110.719 174.578 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -71.91 -36.57 70.03 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.331 0.653 . . . . 74.099999999999994 110.194 177.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . . . . . . . . . 23.0 tpt180 -74.86 -18.77 60.38 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 123.925 0.89 . . . . 73.340000000000003 110.099 -178.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 35.0 t -68.45 -15.04 63.41 Favored 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 123.497 0.719 . . . . 63.119999999999997 110.7 171.498 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 71.7 m80 -91.38 -177.79 4.94 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.734 0.814 . . . . 75.430000000000007 110.123 169.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 27.6 m 67.0 75.05 0.32 Allowed 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 124.308 1.043 . . . . 75.409999999999997 109.456 -170.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . -67.51 -14.99 65.5 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-N 114.973 -1.012 . . . . 52.539999999999999 113.336 178.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -72.06 73.04 0.89 Allowed 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 124.344 1.058 . . . . 64.409999999999997 110.216 173.052 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.1 mmp_? -112.02 121.05 40.5 Favored Pre-proline 0 CA--C 1.539 0.519 0 N-CA-C 108.118 -1.067 . . . . 74.140000000000001 108.118 176.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_endo -67.96 97.96 0.5 Allowed 'Trans proline' 0 C--N 1.37 1.674 0 C-N-CA 121.909 1.739 . . . . 61.509999999999998 110.185 173.237 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.576 ' HB3' HD22 ' A' ' 59' ' ' LEU . 89.1 m-85 -66.71 79.4 0.11 Allowed 'General case' 0 N--CA 1.473 0.682 0 CA-C-N 115.116 -0.947 . . . . 74.040000000000006 111.585 -176.722 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 41.8 t60 -87.28 119.79 27.89 Favored 'General case' 0 N--CA 1.457 -0.094 0 N-CA-C 107.263 -1.384 . . . . 74.329999999999998 107.263 -178.423 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . 0.816 ' HG ' 'ZN ' ' A' ' 101' ' ' ' ZN' . 25.8 t -51.19 -66.46 0.38 Allowed 'General case' 0 CA--C 1.55 0.952 0 O-C-N 124.142 0.901 . . . . 73.349999999999994 112.366 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -175.95 -75.61 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 C-N-CA 123.968 0.907 . . . . 72.129999999999995 108.775 178.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 32.4 tt0 -148.12 10.72 0.9 Allowed 'General case' 0 CA--C 1.549 0.929 0 CA-C-O 121.253 0.549 . . . . 74.120000000000005 111.002 -175.412 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . 0.587 ' SG ' ' SG ' ' A' ' 46' ' ' CYS . 31.6 p -84.71 -11.56 55.61 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.966 -0.459 . . . . 62.219999999999999 112.232 -177.597 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 98.07 -42.88 2.01 Favored Glycine 0 C--N 1.351 1.363 0 C-N-CA 122.698 0.189 . . . . 72.439999999999998 113.23 -178.871 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -63.69 118.86 8.87 Favored 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 123.297 0.639 . . . . 75.430000000000007 111.179 -178.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 21.9 m -140.64 129.19 22.75 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 115.736 -0.665 . . . . 73.010000000000005 110.035 -174.037 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 79.0 m-85 -116.01 165.18 13.41 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 123.779 0.832 . . . . 73.209999999999994 111.278 -168.512 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.438 HG23 ' HG2' ' A' ' 55' ' ' GLN . 9.7 t -108.45 -6.37 16.2 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.176 0.59 . . . . 51.229999999999997 109.974 174.838 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.438 ' HG2' HG23 ' A' ' 54' ' ' THR . 88.8 mm-40 -129.65 135.28 48.33 Favored 'General case' 0 C--O 1.248 1.008 0 C-N-CA 123.853 0.861 . . . . 75.530000000000001 109.982 -178.617 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.419 ' O ' ' HG ' ' A' ' 60' ' ' LEU . 20.7 pttm -64.15 -27.95 69.43 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 123.865 0.866 . . . . 70.129999999999995 111.464 175.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -55.09 -41.66 78.8 Favored Glycine 0 C--N 1.345 1.035 0 CA-C-O 121.259 0.366 . . . . 53.520000000000003 113.125 176.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 m120 -80.09 -37.28 34.05 Favored 'General case' 0 C--O 1.247 0.953 0 C-N-CA 123.327 0.651 . . . . 71.340000000000003 111.324 177.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.576 HD22 ' HB3' ' A' ' 44' ' ' PHE . 33.8 tp -64.82 -43.78 92.01 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.905 0.482 . . . . 75.219999999999999 111.598 -178.105 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 56' ' ' LYS . 94.1 mt -62.92 -34.69 77.98 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.739 0.815 . . . . 75.430000000000007 111.152 -176.33 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.6 tmt_? -64.93 -45.21 86.78 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.306 -0.861 . . . . 72.019999999999996 110.117 174.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 82.8 t60 -70.46 -42.66 71.18 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 123.911 0.885 . . . . 72.209999999999994 112.917 -174.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 24.2 pt -66.22 -25.68 36.21 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 123.145 0.578 . . . . 73.540000000000006 111.404 -174.069 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . 0.772 ' HA ' ' HD3' ' A' ' 70' ' ' LYS . 13.9 ttpt -70.71 -35.53 72.78 Favored 'General case' 0 C--N 1.353 0.719 0 C-N-CA 122.552 0.341 . . . . 72.230000000000004 110.743 174.504 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 87.4 mt -67.59 -8.97 38.59 Favored 'General case' 0 N--CA 1.482 1.146 0 C-N-CA 124.073 0.949 . . . . 54.009999999999998 113.272 -178.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . 0.517 ' NE2' ' SG ' ' A' ' 46' ' ' CYS . 12.9 m-70 -60.27 -29.29 68.71 Favored 'General case' 0 N--CA 1.488 1.433 0 C-N-CA 123.146 0.578 . . . . 72.209999999999994 111.363 171.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.437 ' HB3' ' HG3' ' A' ' 70' ' ' LYS . 29.6 t -127.46 163.56 23.83 Favored 'General case' 0 C--O 1.241 0.643 0 C-N-CA 123.986 0.914 . . . . 73.450000000000003 108.701 175.538 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -67.14 -34.32 85.92 Favored Glycine 0 N--CA 1.476 1.303 0 N-CA-C 112.058 -0.417 . . . . 74.200000000000003 112.058 177.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -149.31 141.92 24.45 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.63 1.172 . . . . 54.409999999999997 108.144 175.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.772 ' HD3' ' HA ' ' A' ' 64' ' ' LYS . 56.8 mtpt -131.39 147.17 65.09 Favored Pre-proline 0 CA--C 1.542 0.672 0 C-N-CA 123.665 0.786 . . . . 64.120000000000005 109.402 174.575 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_endo -56.1 113.64 1.53 Allowed 'Trans proline' 0 C--N 1.375 1.944 0 C-N-CA 123.127 2.551 . . . . 45.009999999999998 112.821 179.217 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 68.9 t80 -73.16 106.17 4.9 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.137 -0.69 . . . . 73.439999999999998 109.137 173.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 55.4 mtpt . . . . . 0 N--CA 1.483 1.189 0 C-N-CA 124.843 1.257 . . . . 75.140000000000001 111.329 178.856 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . 0.816 'ZN ' ' HG ' ' A' ' 46' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.481 1.097 0 N-CA-C 109.629 -0.508 . . . . 65.310000000000002 109.629 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 138.58 -112.96 0.91 Allowed Glycine 0 C--N 1.343 0.917 0 N-CA-C 110.426 -1.07 . . . . 65.109999999999999 110.426 -176.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . . . . . . . . . 50.4 m80 55.95 80.92 0.13 Allowed 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.805 1.242 . . . . 74.120000000000005 111.297 179.445 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' HIS . . . . . . . . . . . . . 64.1 m80 -116.77 -45.23 2.79 Favored 'General case' 0 N--CA 1.481 1.124 0 C-N-CA 123.759 0.823 . . . . 73.540000000000006 109.991 179.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 58.2 m80 65.39 166.53 0.18 Allowed 'General case' 0 N--CA 1.488 1.451 0 C-N-CA 125.054 1.341 . . . . 75.109999999999999 112.185 -179.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-160 -84.44 -43.36 14.71 Favored 'General case' 0 N--CA 1.477 0.902 0 CA-C-N 116.143 -0.48 . . . . 70.450000000000003 109.941 178.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 47.9 t60 59.69 78.27 0.28 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 124.533 1.133 . . . . 70.400000000000006 110.49 -175.736 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 58.8 t-80 -113.89 125.79 54.45 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 115.629 -0.714 . . . . 72.25 109.974 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 t -121.36 -59.29 1.72 Allowed 'General case' 0 C--O 1.238 0.449 0 C-N-CA 124.007 0.923 . . . . 51.030000000000001 109.288 174.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 74.8 t60 60.15 85.5 0.11 Allowed 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.811 1.244 . . . . 71.540000000000006 110.208 -171.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' MET . . . . . . . . . . . . . 58.1 ttp -101.56 95.02 4.7 Favored Pre-proline 0 CA--C 1.551 1.016 0 N-CA-C 108.626 -0.879 . . . . 62.0 108.626 177.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 60.6 Cg_endo -87.52 134.37 3.37 Favored 'Trans proline' 0 C--N 1.379 2.16 0 C-N-CA 123.025 2.483 . . . . 73.099999999999994 112.853 -175.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p-10 -77.83 152.84 33.24 Favored 'General case' 0 N--CA 1.483 1.206 0 C-N-CA 123.105 0.562 . . . . 74.239999999999995 110.832 179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -124.75 109.53 1.25 Allowed Glycine 0 C--N 1.347 1.168 0 CA-C-O 119.81 -0.439 . . . . 72.120000000000005 112.707 -176.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 17.1 ptpt -110.08 67.11 0.64 Allowed 'General case' 0 N--CA 1.481 1.086 0 CA-C-O 121.784 0.802 . . . . 52.340000000000003 109.682 175.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -90.3 118.29 29.7 Favored 'General case' 0 C--O 1.242 0.671 0 CA-C-N 115.741 -0.663 . . . . 72.430000000000007 109.979 -179.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 19.8 ptmt -158.5 125.22 4.78 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 124.781 1.232 . . . . 74.400000000000006 108.532 175.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' CYS . . . . . . . . . . . . . 21.3 p -158.51 150.6 21.55 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.042 0.937 . . . . 53.32 109.013 -177.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ASP . . . . . . . . . . . . . 14.3 t70 70.65 141.77 0.05 OUTLIER 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 124.648 1.179 . . . . 74.129999999999995 111.777 -173.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 96.2 t -78.26 -25.67 14.05 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.871 0 C-N-CA 124.469 1.108 . . . . 51.229999999999997 111.527 -175.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 48.7 t 65.25 34.47 8.39 Favored 'General case' 0 N--CA 1.49 1.543 0 C-N-CA 124.615 1.166 . . . . 63.009999999999998 110.349 -174.11 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.38 -166.27 36.45 Favored Glycine 0 C--N 1.342 0.868 0 CA-C-N 114.48 -1.237 . . . . 64.120000000000005 110.641 -177.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' MET . . . . . . . . . . . . . 54.5 ttm -166.36 -57.51 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.217 0.607 . . . . 65.129999999999995 109.863 177.246 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 91.0 t 56.19 95.06 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.481 1.091 0 C-N-CA 125.437 1.495 . . . . 62.530000000000001 111.455 -174.393 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 27.0 p -161.13 177.31 10.4 Favored 'General case' 0 C--O 1.243 0.754 0 CA-C-N 114.458 -1.246 . . . . 33.420000000000002 108.839 -176.561 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 37.5 mt 64.22 94.93 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.476 0.842 0 C-N-CA 124.825 1.25 . . . . 51.109999999999999 110.451 179.239 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -78.42 156.79 43.53 Favored Glycine 0 CA--C 1.529 0.938 0 CA-C-O 119.294 -0.725 . . . . 71.530000000000001 111.313 175.368 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_endo -73.86 168.66 24.24 Favored 'Trans proline' 0 C--N 1.365 1.443 0 C-N-CA 122.406 2.071 . . . . 41.439999999999998 111.598 176.161 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -86.07 26.77 0.97 Allowed 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 123.557 0.743 . . . . 74.109999999999999 110.562 -174.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.45 ' HA ' HG12 ' A' ' 33' ' ' VAL . 34.5 m -72.31 -28.42 28.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.621 0 C-N-CA 124.392 1.077 . . . . 63.039999999999999 112.041 -175.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 7.0 tt -66.77 -39.38 87.83 Favored 'General case' 0 N--CA 1.481 1.092 0 C-N-CA 123.529 0.732 . . . . 74.109999999999999 109.744 -177.059 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' MET . . . . . . . . . . . . . 51.3 ttm -68.72 -51.3 43.0 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 123.208 0.603 . . . . 62.450000000000003 111.077 179.043 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.45 HG12 ' HA ' ' A' ' 30' ' ' VAL . 9.8 p -67.87 -28.09 40.15 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.956 0 C-N-CA 122.932 0.493 . . . . 73.209999999999994 110.841 -177.393 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' HIS . . . . . . . . . . . . . 35.6 t60 -53.44 -50.43 65.27 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 124.252 1.021 . . . . 72.439999999999998 110.111 175.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -70.99 -36.21 72.4 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-N 114.809 -1.087 . . . . 65.409999999999997 111.177 177.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.402 ' HB3' ' HA ' ' A' ' 33' ' ' VAL . 26.5 tpt180 -71.64 -25.36 62.1 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.989 0.916 . . . . 74.310000000000002 111.222 -174.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' SER . . . . . . . . . . . . . 50.0 m -85.27 -42.15 14.91 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.555 0.742 . . . . 75.310000000000002 111.079 -179.111 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 39.5 m80 -76.55 -34.01 58.51 Favored 'General case' 0 N--CA 1.479 0.976 0 CA-C-N 116.065 -0.516 . . . . 73.430000000000007 111.236 179.091 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 66.6 p 52.67 -75.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.657 0 C-N-CA 126.678 1.991 . . . . 74.310000000000002 112.493 -172.559 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 161.6 148.18 5.22 Favored Glycine 0 N--CA 1.446 -0.659 0 N-CA-C 110.396 -1.081 . . . . 61.210000000000001 110.396 178.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -96.36 124.84 40.5 Favored 'General case' 0 C--O 1.241 0.655 0 N-CA-C 109.499 -0.556 . . . . 64.420000000000002 109.499 177.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -58.59 155.82 27.02 Favored Pre-proline 0 CA--C 1.551 1.004 0 C-N-CA 124.075 0.95 . . . . 62.329999999999998 110.631 170.338 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -72.97 11.7 0.85 Allowed 'Trans proline' 0 C--N 1.379 2.169 0 C-N-CA 122.888 2.392 . . . . 61.140000000000001 113.03 178.605 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.699 ' HA ' HD22 ' A' ' 59' ' ' LEU . 35.1 m-85 63.54 37.83 10.16 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 125.334 1.454 . . . . 72.530000000000001 109.826 175.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 52' ' ' SER . 26.7 t-80 -90.99 131.87 36.33 Favored 'General case' 0 C--O 1.238 0.486 0 CA-C-N 113.836 -1.529 . . . . 61.009999999999998 109.774 -178.118 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 49.9 t -77.83 127.65 32.74 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.837 0.855 . . . . 73.109999999999999 109.46 173.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -46.58 -73.62 0.04 OUTLIER 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 125.775 1.63 . . . . 73.510000000000005 113.779 -164.257 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -116.67 84.18 2.09 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-O 121.5 0.667 . . . . 62.219999999999999 109.694 178.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' CYS . . . . . . . . . . . . . 21.1 p -172.08 -29.44 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.973 1.309 . . . . 75.319999999999993 109.3 168.654 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 80.34 61.3 2.23 Favored Glycine 0 C--N 1.345 1.051 0 CA-C-N 115.75 -0.659 . . . . 61.310000000000002 111.463 178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.68 91.54 3.17 Favored 'General case' 0 N--CA 1.472 0.631 0 N-CA-C 109.123 -0.695 . . . . 63.409999999999997 109.123 179.086 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . 0.478 ' HA ' ' HA ' ' A' ' 45' ' ' HIS . 32.4 t -87.35 137.97 31.88 Favored 'General case' 0 CA--C 1.541 0.6 0 N-CA-C 109.626 -0.509 . . . . 51.399999999999999 109.626 178.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 87.9 m-85 -121.27 168.99 11.02 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.284 0.634 . . . . 73.420000000000002 110.738 -176.141 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 9.8 t -85.9 -27.87 24.71 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.256 0.623 . . . . 73.209999999999994 111.606 -176.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 17.7 mm-40 -141.03 161.56 37.55 Favored 'General case' 0 N--CA 1.482 1.139 0 N-CA-C 112.403 0.52 . . . . 52.420000000000002 112.403 -174.474 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 64.6 pttt -66.81 -34.63 78.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.227 -0.897 . . . . 65.310000000000002 111.105 -179.009 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -57.06 -36.26 73.4 Favored Glycine 0 C--N 1.351 1.361 0 O-C-N 123.252 0.345 . . . . 75.040000000000006 112.985 179.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -69.55 -48.53 60.04 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.693 0.797 . . . . 75.019999999999996 110.078 179.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.699 HD22 ' HA ' ' A' ' 44' ' ' PHE . 51.5 tp -67.45 -43.8 80.2 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.843 0.857 . . . . 73.25 111.314 -175.706 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 89.5 mt -64.56 -28.81 69.89 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 124.27 1.028 . . . . 74.109999999999999 111.314 -176.333 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 43.2 ttt180 -76.71 -45.54 29.02 Favored 'General case' 0 CA--C 1.548 0.896 0 C-N-CA 123.344 0.658 . . . . 74.319999999999993 110.091 171.473 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 46.5 t60 -63.85 -45.4 89.67 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 124.166 0.986 . . . . 64.040000000000006 112.709 -170.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 27.1 pt -62.22 -27.12 41.95 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.119 0 C-N-CA 123.428 0.691 . . . . 73.239999999999995 111.255 -176.349 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -62.72 -35.29 79.28 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.846 0.858 . . . . 75.230000000000004 111.595 178.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.8 mp -62.32 -36.29 81.72 Favored 'General case' 0 N--CA 1.481 1.075 0 O-C-N 123.957 0.785 . . . . 74.519999999999996 110.57 175.04 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -74.14 -24.75 59.47 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 123.425 0.69 . . . . 73.219999999999999 111.451 174.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 55.7 m 67.17 21.08 10.13 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 124.567 1.147 . . . . 51.420000000000002 113.095 175.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -63.81 -67.37 2.08 Favored Glycine 0 C--N 1.35 1.306 0 O-C-N 123.522 0.514 . . . . 64.25 112.836 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -139.64 96.9 3.16 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 124.213 1.005 . . . . 75.430000000000007 109.015 178.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 25.7 pttm -130.52 146.18 60.68 Favored Pre-proline 0 N--CA 1.483 1.197 0 N-CA-C 109.077 -0.712 . . . . 53.350000000000001 109.077 173.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -65.47 -15.5 49.97 Favored 'Trans proline' 0 C--N 1.373 1.85 0 C-N-CA 122.915 2.41 . . . . 71.140000000000001 115.389 -176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -94.24 91.5 6.78 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-O 121.364 0.602 . . . . 72.310000000000002 109.616 173.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.481 1.108 0 CA-C-N 114.59 -1.186 . . . . 72.209999999999994 108.74 173.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_