data_2ln3_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 2ln3 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 74.329999999999998 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.200000000000003 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.209999999999994 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.507 ' HB ' HG11 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 70.120000000000005 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.329999999999998 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.209999999999994 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 73.319999999999993 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 75.420000000000002 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.530000000000001 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.120000000000005 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 72.400000000000006 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HE2' ' A' ' 48' ' ' MET . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.019999999999996 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.140000000000001 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 74.420000000000002 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 73.209999999999994 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.010000000000005 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 73.409999999999997 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 74.019999999999996 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.530000000000001 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 74.400000000000006 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 74.310000000000002 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 74.209999999999994 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 75.540000000000006 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 74.439999999999998 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.526 ' HB3' HG21 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 73.209999999999994 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.129999999999995 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.51 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 74.129999999999995 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.239999999999995 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 73.340000000000003 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 75.019999999999996 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 72.109999999999999 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 75.140000000000001 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.209999999999994 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.450000000000003 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 74.25 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 74.430000000000007 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.120000000000005 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.420000000000002 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 75.430000000000007 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.310000000000002 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.564 ' HE2' HD22 ' A' ' 16' ' ' LEU . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 71.400000000000006 111.0 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 75.519999999999996 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 75.340000000000003 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 73.299999999999997 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.230000000000004 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 75.040000000000006 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 71.0 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.329999999999998 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 64.0 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.420000000000002 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.486 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.329999999999998 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 73.129999999999995 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.310000000000002 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.430000000000007 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.120000000000005 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.420000000000002 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 74.530000000000001 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 75.239999999999995 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.209999999999994 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 75.099999999999994 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 73.319999999999993 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 72.200000000000003 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 73.099999999999994 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.549999999999997 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.329999999999998 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 65.5 112.983 178.41 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 72.019999999999996 108.935 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.230000000000004 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.120000000000005 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' HG11 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.519999999999996 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.420000000000002 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 64.239999999999995 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.129999999999995 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 73.420000000000002 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.319999999999993 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.439999999999998 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.219999999999999 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 75.0 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 63.130000000000003 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 74.510000000000005 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 72.540000000000006 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 75.099999999999994 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 75.099999999999994 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 73.230000000000004 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.549999999999997 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 75.019999999999996 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.510000000000005 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 71.109999999999999 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 71.109999999999999 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 74.049999999999997 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 74.5 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.239999999999995 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.349999999999994 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 48' ' ' MET . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.209999999999994 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.400000000000006 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.129999999999995 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.009999999999998 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.129999999999995 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.109999999999999 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.100000000000001 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.409999999999997 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 71.340000000000003 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 61.130000000000003 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.120000000000005 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.439999999999998 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.424 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.540000000000006 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.209999999999994 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 75.519999999999996 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 75.219999999999999 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HG22 ' A' ' 31' ' ' VAL . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 75.150000000000006 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.340000000000003 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.340000000000003 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 65.099999999999994 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 73.439999999999998 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 72.340000000000003 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.150000000000006 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.040000000000006 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.520000000000003 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 73.430000000000007 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 71.120000000000005 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 74.209999999999994 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.010000000000005 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 75.219999999999999 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.140000000000001 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.329999999999998 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.519999999999996 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.010000000000005 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.439999999999998 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.430000000000007 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.109999999999999 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.450000000000003 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.420000000000002 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.340000000000003 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 75.329999999999998 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 72.209999999999994 109.258 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.329999999999998 110.847 177.494 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.509999999999998 107.759 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.420000000000002 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.219999999999999 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.566 ' HB ' HG11 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.099999999999994 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.519999999999996 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.420000000000002 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 73.439999999999998 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 75.310000000000002 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 70.150000000000006 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 75.340000000000003 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 74.319999999999993 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 73.150000000000006 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.040000000000006 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.150000000000006 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 75.310000000000002 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 75.340000000000003 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HZ1' ' HB2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 75.510000000000005 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.430000000000007 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.54 HG22 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 74.430000000000007 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.310000000000002 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 75.209999999999994 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 61.299999999999997 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.409999999999997 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.200000000000003 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.310000000000002 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 74.040000000000006 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.566 HG11 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 74.019999999999996 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.019999999999996 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.219999999999999 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.329999999999998 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 74.129999999999995 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.200000000000003 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.129999999999995 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 65.120000000000005 110.371 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.299999999999997 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.461 HG21 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.400000000000006 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.209999999999994 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.319999999999993 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.340000000000003 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 72.049999999999997 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 73.0 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB3' HD22 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 75.230000000000004 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.219999999999999 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.140000000000001 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 71.129999999999995 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 75.430000000000007 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 74.129999999999995 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.219999999999999 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.420000000000002 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.54 ' HB ' HG22 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.230000000000004 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.040000000000006 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 71.430000000000007 110.709 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.319999999999993 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 73.140000000000001 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.219999999999999 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.430000000000007 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.219999999999999 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.329999999999998 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.209999999999994 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.239999999999995 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 72.5 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 71.439999999999998 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 74.409999999999997 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 75.230000000000004 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.219999999999999 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.439999999999998 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.540000000000006 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 71.200000000000003 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 73.319999999999993 111.115 -176.544 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.456 0.646 . . . . 72.310000000000002 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . 0.569 ' HE ' HD13 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.129999999999995 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.200000000000003 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 31' ' ' VAL . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.340000000000003 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.420000000000002 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 73.310000000000002 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.120000000000005 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 74.409999999999997 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.120000000000005 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.209999999999994 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.109999999999999 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.310000000000002 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 73.319999999999993 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 74.25 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.340000000000003 110.378 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.329999999999998 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.409999999999997 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 72.319999999999993 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.520000000000003 110.125 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.439999999999998 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.409999999999997 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 73.25 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.540000000000006 109.708 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.229999999999997 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.450000000000003 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 74.329999999999998 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 74.430000000000007 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.329999999999998 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.450000000000003 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.329999999999998 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.109999999999999 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 71.140000000000001 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.140000000000001 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.349999999999994 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.120000000000005 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 64.120000000000005 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.540000000000006 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.219999999999999 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.555 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.450000000000003 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.329999999999998 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 71.349999999999994 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 72.109999999999999 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB3' HD13 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.240000000000002 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.504 ' HE2' HG22 ' A' ' 31' ' ' VAL . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.319999999999993 111.613 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 75.239999999999995 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 75.099999999999994 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.540000000000006 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 63.43 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 74.310000000000002 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 75.099999999999994 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 73.510000000000005 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 73.030000000000001 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.120000000000005 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.510000000000005 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.319999999999993 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.48 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.319999999999993 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.120000000000005 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.340000000000003 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 75.530000000000001 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.439999999999998 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 73.140000000000001 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 64.319999999999993 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.239999999999995 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.540000000000006 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 74.319999999999993 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 72.409999999999997 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.563 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.239999999999995 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.109999999999999 112.269 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.829 0.823 . . . . 65.430000000000007 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.450000000000003 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 75.450000000000003 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.532 ' HB ' HG13 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 73.400000000000006 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.510000000000005 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.010000000000005 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 75.329999999999998 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 74.219999999999999 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.140000000000001 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 63.0 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.299999999999997 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.420000000000002 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.409999999999997 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 74.329999999999998 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.340000000000003 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 75.209999999999994 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . 0.433 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.510000000000005 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 73.310000000000002 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.319999999999993 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 71.120000000000005 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.450000000000003 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 74.530000000000001 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 74.150000000000006 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.129999999999995 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.109999999999999 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG13 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 75.310000000000002 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.310000000000002 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.349999999999994 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.430000000000007 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.319999999999993 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.239999999999995 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 75.329999999999998 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 75.209999999999994 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.329999999999998 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 71.430000000000007 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.209999999999994 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 64.439999999999998 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.310000000000002 110.346 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 71.420000000000002 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.430000000000007 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 73.239999999999995 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.439999999999998 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 75.340000000000003 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.439999999999998 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 72.540000000000006 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.439999999999998 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.040000000000006 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 62.520000000000003 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.340000000000003 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 73.450000000000003 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.430000000000007 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.239999999999995 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.150000000000006 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 63.219999999999999 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 62.210000000000001 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.450000000000003 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.140000000000001 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.109999999999999 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.040000000000006 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 74.140000000000001 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 74.349999999999994 110.914 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.319999999999993 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.229999999999997 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 72.439999999999998 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 75.450000000000003 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 73.430000000000007 111.273 -170.701 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 43.25 113.193 174.115 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 120.625 0.25 . . . . 74.420000000000002 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.439999999999998 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.200000000000003 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.409999999999997 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.400000000000006 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.150000000000006 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.319999999999993 109.875 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 74.099999999999994 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.439999999999998 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.409999999999997 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 75.010000000000005 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 74.430000000000007 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 65.549999999999997 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 74.519999999999996 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.430000000000007 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.120000000000005 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 73.239999999999995 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 74.319999999999993 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.329999999999998 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.240000000000002 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.340000000000003 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 73.209999999999994 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.230000000000004 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.120000000000005 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 73.319999999999993 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.150000000000006 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.409999999999997 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.439999999999998 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.530000000000001 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.409999999999997 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.140000000000001 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 74.25 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.420000000000002 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 72.099999999999994 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.310000000000002 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 74.530000000000001 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.430000000000007 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.219999999999999 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 74.010000000000005 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.420000000000002 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 71.329999999999998 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.120000000000005 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 31' ' ' VAL . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.099999999999994 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 62.100000000000001 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.299999999999997 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.310000000000002 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.209999999999994 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 73.120000000000005 110.27 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.430000000000007 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 73.099999999999994 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.239999999999995 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.400000000000006 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.040000000000006 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 74.200000000000003 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.299999999999997 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 74.319999999999993 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 75.25 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.340000000000003 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.450000000000003 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.509999999999998 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.439999999999998 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.219999999999999 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 64.140000000000001 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.120000000000005 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.420000000000002 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.310000000000002 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.209999999999994 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.310000000000002 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.129999999999995 112.453 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 63.43 108.6 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.510000000000005 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.140000000000001 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.040000000000006 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 63.219999999999999 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 73.409999999999997 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.510000000000005 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.549999999999997 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.349999999999994 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.450000000000003 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 71.109999999999999 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.150000000000006 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 70.109999999999999 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 74.099999999999994 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 62.509999999999998 109.934 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 74.150000000000006 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 74.430000000000007 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 72.230000000000004 110.098 172.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.299999999999997 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 74.319999999999993 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.109999999999999 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 74.409999999999997 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 53.299999999999997 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 65.430000000000007 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.120000000000005 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 75.349999999999994 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 71.129999999999995 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.200000000000003 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.010000000000005 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.219999999999999 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.129999999999995 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 74.420000000000002 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 70.0 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.030000000000001 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 75.209999999999994 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 72.400000000000006 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.433 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.329999999999998 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.319999999999993 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 75.040000000000006 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 70.120000000000005 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 73.030000000000001 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.47 ' HE2' HG23 ' A' ' 31' ' ' VAL . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.299999999999997 111.609 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.329999999999998 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.319999999999993 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 72.140000000000001 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 62.229999999999997 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 75.010000000000005 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.439999999999998 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.219999999999999 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 71.109999999999999 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.140000000000001 109.023 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.150000000000006 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.476 ' HB ' HG22 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 75.5 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.219999999999999 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HE3' HD13 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 74.010000000000005 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 72.340000000000003 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.433 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.129999999999995 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.099999999999994 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 70.140000000000001 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 65.340000000000003 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.129999999999995 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 73.439999999999998 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.540000000000006 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 74.420000000000002 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.109999999999999 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 74.099999999999994 110.288 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 74.319999999999993 111.496 172.423 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 109.463 -0.569 . . . . 75.400000000000006 109.463 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.200000000000003 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 72.519999999999996 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HB ' HG11 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 71.109999999999999 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.140000000000001 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.200000000000003 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.150000000000006 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 71.540000000000006 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 73.140000000000001 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.219999999999999 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.240000000000002 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 71.340000000000003 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 73.439999999999998 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.299999999999997 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.209999999999994 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.140000000000001 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 73.549999999999997 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 75.25 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 75.140000000000001 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG21 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.310000000000002 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 75.530000000000001 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.200000000000003 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.510000000000005 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.299999999999997 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 75.409999999999997 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.430000000000007 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.481 HG11 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.439999999999998 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 65.299999999999997 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.310000000000002 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.439999999999998 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.209999999999994 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.209999999999994 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 65.019999999999996 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 74.239999999999995 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.340000000000003 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.319999999999993 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 71.319999999999993 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.310000000000002 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 73.030000000000001 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 72.109999999999999 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 73.239999999999995 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 71.129999999999995 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.530000000000001 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD11 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.120000000000005 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.329999999999998 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 74.319999999999993 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.310000000000002 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 70.019999999999996 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 75.510000000000005 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 72.319999999999993 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 74.219999999999999 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 62.329999999999998 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.229999999999997 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.109999999999999 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 73.420000000000002 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.511 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.200000000000003 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.530000000000001 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.310000000000002 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 73.0 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.200000000000003 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.530000000000001 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 75.400000000000006 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.230000000000004 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 71.319999999999993 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.511 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.530000000000001 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 74.329999999999998 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.310000000000002 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.209999999999994 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.120000000000005 113.27 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 m . . . . . 0 CA--C 1.553 1.089 0 CA-C-O 121.135 0.493 . . . . 75.219999999999999 110.773 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 75.329999999999998 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 70.0 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.584 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.409999999999997 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 75.230000000000004 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 75.049999999999997 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.439999999999998 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.349999999999994 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 75.120000000000005 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 72.230000000000004 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 72.019999999999996 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.340000000000003 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.565 HD22 ' HE3' ' A' ' 48' ' ' MET . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 64.430000000000007 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.239999999999995 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 71.120000000000005 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB1' ' HE1' ' A' ' 48' ' ' MET . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.450000000000003 110.374 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.129999999999995 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.239999999999995 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.439999999999998 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.349999999999994 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.349999999999994 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 74.310000000000002 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 64.409999999999997 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.230000000000004 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 74.209999999999994 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.530000000000001 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.584 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 75.319999999999993 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.230000000000004 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 75.340000000000003 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.530000000000001 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.030000000000001 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.129999999999995 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 74.120000000000005 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.439999999999998 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 72.209999999999994 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 74.109999999999999 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.420000000000002 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.140000000000001 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 74.120000000000005 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 73.450000000000003 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.120000000000005 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.239999999999995 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.140000000000001 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.565 ' HE3' HD22 ' A' ' 16' ' ' LEU . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 73.230000000000004 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.099999999999994 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 62.350000000000001 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 72.25 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.430000000000007 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 70.109999999999999 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.430000000000007 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 74.409999999999997 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 75.140000000000001 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 75.439999999999998 109.173 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.140000000000001 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.409 HG23 ' HB1' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 73.329999999999998 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.602 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 72.409999999999997 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 74.329999999999998 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.299999999999997 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 72.239999999999995 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 53.409999999999997 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.150000000000006 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 74.299999999999997 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 75.530000000000001 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 73.430000000000007 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 72.140000000000001 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.329999999999998 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.510000000000005 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.420000000000002 113.498 -178.306 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.209999999999994 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 74.109999999999999 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 72.409999999999997 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.574 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 71.209999999999994 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 74.420000000000002 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.510000000000005 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.319999999999993 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.430000000000007 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.209999999999994 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.310000000000002 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 75.129999999999995 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 74.420000000000002 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.319999999999993 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 74.109999999999999 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 64.239999999999995 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 62.119999999999997 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 74.200000000000003 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 64.430000000000007 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 75.349999999999994 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 73.299999999999997 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.510000000000005 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 73.049999999999997 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.020000000000003 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 71.150000000000006 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.120000000000005 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 75.519999999999996 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.329999999999998 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.574 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.140000000000001 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.129999999999995 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.209999999999994 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.350000000000001 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.129999999999995 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 73.140000000000001 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.310000000000002 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.439999999999998 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 75.310000000000002 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.519999999999996 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 71.120000000000005 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.299999999999997 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.120000000000005 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.200000000000003 111.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.200000000000003 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.340000000000003 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.310000000000002 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.694 ' SD ' HD13 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 74.209999999999994 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.319999999999993 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 64.299999999999997 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 64.349999999999994 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 64.129999999999995 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 72.099999999999994 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HB2' ' HZ3' ' A' ' 54' ' ' LYS . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.209999999999994 112.366 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 74.140000000000001 111.273 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.129999999999995 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.329999999999998 110.737 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.310000000000002 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.471 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 74.019999999999996 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.099999999999994 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 72.209999999999994 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.129999999999995 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 75.099999999999994 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.349999999999994 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.430000000000007 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.473 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 74.519999999999996 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 75.230000000000004 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.230000000000004 108.92 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.239999999999995 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.450000000000003 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.230000000000004 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.694 HD13 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 73.129999999999995 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.209999999999994 110.029 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 72.230000000000004 109.286 173.304 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.953 -0.758 . . . . 74.099999999999994 108.953 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 73.340000000000003 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.129999999999995 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG11 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.239999999999995 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 65.140000000000001 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.229999999999997 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 75.25 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.319999999999993 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 75.310000000000002 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HB2' HD22 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 71.329999999999998 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 73.540000000000006 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 71.540000000000006 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 71.439999999999998 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 70.340000000000003 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 73.409999999999997 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.209999999999994 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 74.540000000000006 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 74.530000000000001 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 72.049999999999997 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.019999999999996 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 63.020000000000003 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 74.439999999999998 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.030000000000001 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.219999999999999 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 74.239999999999995 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.230000000000004 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 74.299999999999997 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 71.340000000000003 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 74.310000000000002 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.310000000000002 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 72.420000000000002 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 73.040000000000006 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 64.409999999999997 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 70.150000000000006 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 74.299999999999997 111.071 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 75.129999999999995 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 74.109999999999999 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.329999999999998 109.991 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 74.150000000000006 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.030000000000001 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.230000000000004 113.627 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 75.0 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.439999999999998 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.349999999999994 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 75.540000000000006 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.299999999999997 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 72.340000000000003 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.430000000000007 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.549999999999997 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.340000000000003 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 74.219999999999999 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 74.420000000000002 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 72.129999999999995 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.329999999999998 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.450000000000003 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.129999999999995 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 71.319999999999993 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 74.349999999999994 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 53.350000000000001 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.455 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.439999999999998 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.340000000000003 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.329999999999998 110.616 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 75.019999999999996 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 74.430000000000007 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 74.019999999999996 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.439999999999998 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HZ3' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.510000000000005 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.009999999999998 111.564 171.961 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 75.219999999999999 109.79 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.319999999999993 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 65.450000000000003 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.423 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 75.409999999999997 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.456 HG21 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 72.239999999999995 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.549999999999997 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 73.439999999999998 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.120000000000005 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 71.409999999999997 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.219999999999999 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.530000000000001 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.230000000000004 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.240000000000002 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 74.209999999999994 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.579 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 61.219999999999999 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 74.150000000000006 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.030000000000001 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.430000000000007 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 71.340000000000003 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.239999999999995 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 74.109999999999999 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.329999999999998 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.230000000000004 110.679 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.450000000000003 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.030000000000001 109.0 -171.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.120000000000005 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 73.549999999999997 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB3' HG21 ' A' ' 8' ' ' THR . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 73.099999999999994 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.510000000000005 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.310000000000002 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 72.319999999999993 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 73.140000000000001 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.409999999999997 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 70.319999999999993 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 72.230000000000004 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.239999999999995 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.403 HG23 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.219999999999999 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.030000000000001 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.439999999999998 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 74.120000000000005 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.310000000000002 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 73.420000000000002 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.239999999999995 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.494 ' HG3' HD13 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 71.400000000000006 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.430000000000007 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.430000000000007 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 75.099999999999994 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 73.400000000000006 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.349999999999994 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 73.239999999999995 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.349999999999994 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.420000000000002 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 73.549999999999997 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 75.5 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 73.140000000000001 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 72.430000000000007 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 73.519999999999996 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 74.319999999999993 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.403 ' HH2' HG23 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.239999999999995 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.430000000000007 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 63.420000000000002 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 73.340000000000003 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 75.209999999999994 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.310000000000002 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.319999999999993 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.494 HD13 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.430000000000007 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.549999999999997 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 71.239999999999995 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.465 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 73.329999999999998 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 73.230000000000004 111.912 -169.407 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 120.778 0.323 . . . . 72.329999999999998 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 74.010000000000005 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 73.219999999999999 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' HG11 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.400000000000006 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 73.140000000000001 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.019999999999996 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 74.430000000000007 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.239999999999995 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 73.329999999999998 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 73.420000000000002 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 74.200000000000003 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 74.209999999999994 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.010000000000005 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 74.230000000000004 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.540000000000006 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.540000000000006 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 63.520000000000003 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.530000000000001 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 73.329999999999998 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 72.140000000000001 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.549999999999997 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 70.299999999999997 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 74.439999999999998 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 73.129999999999995 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.310000000000002 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HE3' ' A' ' 48' ' ' MET . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 74.200000000000003 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.530000000000001 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.430000000000007 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 72.430000000000007 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.040000000000006 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 75.439999999999998 110.471 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 71.540000000000006 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.239999999999995 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 74.409999999999997 110.056 -176.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.530000000000001 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 71.310000000000002 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.209999999999994 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.140000000000001 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.129999999999995 109.72 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.439999999999998 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 74.430000000000007 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.450000000000003 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD13 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.239999999999995 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 72.340000000000003 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 75.430000000000007 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 74.049999999999997 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 74.019999999999996 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.209999999999994 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 74.420000000000002 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 52.229999999999997 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.310000000000002 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.109999999999999 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 74.019999999999996 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 74.329999999999998 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.549999999999997 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.540000000000006 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.349999999999994 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 74.329999999999998 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 71.030000000000001 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 75.409999999999997 109.0 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.120000000000005 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 75.530000000000001 111.031 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.340000000000003 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.140000000000001 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 75.150000000000006 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.783 HD13 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 72.209999999999994 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.430000000000007 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 65.010000000000005 114.932 -176.955 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 75.099999999999994 108.887 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 74.129999999999995 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.519999999999996 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.555 ' HB ' HG13 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 74.239999999999995 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.420000000000002 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 74.030000000000001 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.509999999999998 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 73.430000000000007 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 64.200000000000003 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.239999999999995 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.400000000000006 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 74.420000000000002 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 73.109999999999999 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.219999999999999 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.340000000000003 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.503 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 72.340000000000003 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 73.549999999999997 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.519999999999996 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.240000000000002 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 53.340000000000003 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 72.109999999999999 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 72.319999999999993 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 74.420000000000002 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.129999999999995 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 71.099999999999994 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.219999999999999 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.209999999999994 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.129999999999995 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.150000000000006 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.5 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.140000000000001 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 74.019999999999996 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.420000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 74.25 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.030000000000001 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.540000000000006 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.200000000000003 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 72.400000000000006 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.310000000000002 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 72.010000000000005 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 74.409999999999997 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.340000000000003 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.239999999999995 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.503 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.329999999999998 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.140000000000001 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 74.329999999999998 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.420000000000002 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 72.140000000000001 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 63.219999999999999 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 72.349999999999994 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.219999999999999 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.407 HD12 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.120000000000005 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 74.230000000000004 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.540000000000006 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 75.409999999999997 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.319999999999993 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.150000000000006 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 71.329999999999998 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.200000000000003 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 73.239999999999995 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 74.549999999999997 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.310000000000002 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.329999999999998 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.420000000000002 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.443 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.310000000000002 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.349999999999994 114.399 -163.492 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.553 1.068 0 CA-C-O 120.478 0.18 . . . . 73.329999999999998 111.145 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.099999999999994 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 74.209999999999994 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.5 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 73.439999999999998 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.239999999999995 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' SER . . . . . 0.426 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 70.230000000000004 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 72.319999999999993 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 62.240000000000002 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.430000000000007 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 70.430000000000007 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.239999999999995 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.439999999999998 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.530000000000001 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 73.540000000000006 110.091 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.549999999999997 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 74.230000000000004 111.421 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.349999999999994 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.040000000000006 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.230000000000004 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.420000000000002 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.430000000000007 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.319999999999993 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 71.25 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.340000000000003 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.5 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.420000000000002 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.120000000000005 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.510000000000005 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.399999999999999 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.109999999999999 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.310000000000002 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.030000000000001 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.140000000000001 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 74.319999999999993 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.400000000000006 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.140000000000001 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.519999999999996 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 74.540000000000006 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.439999999999998 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.540000000000006 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.329999999999998 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.149999999999999 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.030000000000001 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 75.340000000000003 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD11 HD12 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 52.200000000000003 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 71.420000000000002 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.329999999999998 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 74.519999999999996 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.450000000000003 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 73.109999999999999 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.209999999999994 109.954 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.512 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.340000000000003 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.120000000000005 109.261 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 74.310000000000002 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 75.430000000000007 108.349 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.140000000000001 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 74.329999999999998 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.329999999999998 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.010000000000005 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.310000000000002 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.120000000000005 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 72.239999999999995 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.510000000000005 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.310000000000002 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 74.439999999999998 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.019999999999996 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 75.530000000000001 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA2' HG21 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 72.329999999999998 113.158 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.219999999999999 108.335 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 74.310000000000002 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 61.140000000000001 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.518 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.430000000000007 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.040000000000006 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 75.230000000000004 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.129999999999995 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 13' ' ' GLU . 7.6 t30 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 72.349999999999994 108.029 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.209999999999994 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 11' ' ' ASN . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 72.239999999999995 111.076 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.409999999999997 110.776 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 74.400000000000006 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 48' ' ' MET . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.120000000000005 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.329999999999998 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 74.140000000000001 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB3' HD12 ' A' ' 72' ' ' LEU . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 71.120000000000005 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 72.239999999999995 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 74.209999999999994 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 70.230000000000004 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.530000000000001 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.230000000000004 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 64.310000000000002 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.25 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.430000000000007 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 75.530000000000001 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 72.329999999999998 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.319999999999993 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.420000000000002 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.420000000000002 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.150000000000006 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.409999999999997 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 71.230000000000004 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 74.420000000000002 112.974 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 72.150000000000006 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.540000000000006 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD21 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 72.439999999999998 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 75.109999999999999 111.837 -176.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.209999999999994 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.129999999999995 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.450000000000003 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 71.230000000000004 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.538 ' HE3' HD22 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 75.129999999999995 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.450000000000003 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.616 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 72.140000000000001 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 75.140000000000001 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 74.150000000000006 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 74.010000000000005 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 74.230000000000004 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 75.450000000000003 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.520000000000003 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 63.25 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.603 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 71.540000000000006 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.44 HG22 ' HB1' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 72.349999999999994 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.040000000000006 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.450000000000003 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 74.439999999999998 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.439999999999998 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.530000000000001 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.040000000000006 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.540000000000006 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.450000000000003 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 72.439999999999998 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 74.25 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.329999999999998 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 74.239999999999995 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' ALA . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.349999999999994 107.836 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.603 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 72.129999999999995 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.019999999999996 112.095 -171.342 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.430000000000007 107.697 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.099999999999994 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.310000000000002 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.405 ' HB ' HG13 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 73.310000000000002 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 73.450000000000003 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.420000000000002 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.239999999999995 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 72.109999999999999 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 72.140000000000001 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.120000000000005 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 74.140000000000001 110.127 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 71.329999999999998 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.010000000000005 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 71.510000000000005 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 75.140000000000001 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.420000000000002 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.510000000000005 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 74.430000000000007 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 70.239999999999995 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 73.109999999999999 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.109999999999999 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.230000000000004 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.439999999999998 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 74.25 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 74.299999999999997 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.329999999999998 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 ' HE1' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 71.400000000000006 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 74.140000000000001 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.349999999999994 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.439999999999998 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.049999999999997 110.468 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.140000000000001 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.409999999999997 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 72.540000000000006 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.439999999999998 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 73.019999999999996 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 73.049999999999997 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.540000000000006 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 75.329999999999998 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 73.239999999999995 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.571 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.519999999999996 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB3' HD23 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.129999999999995 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE1' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.329999999999998 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 73.549999999999997 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 75.430000000000007 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.439999999999998 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 72.140000000000001 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.329999999999998 112.825 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.439999999999998 111.845 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 54.310000000000002 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.109999999999999 110.403 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 51.450000000000003 108.415 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.516 HD12 HD12 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.400000000000006 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 75.510000000000005 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.310000000000002 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 73.049999999999997 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.430000000000007 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.230000000000004 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 73.400000000000006 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 36' ' ' THR . 5.4 t30 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.510000000000005 112.08 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.430000000000007 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 63.340000000000003 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 73.430000000000007 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 74.040000000000006 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.519999999999996 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 74.230000000000004 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.420000000000002 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.030000000000001 113.476 -175.571 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.316 -0.624 . . . . 73.019999999999996 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.430000000000007 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.310000000000002 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.507 ' HB ' HG11 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.430000000000007 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 64.219999999999999 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.310000000000002 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 72.409999999999997 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.200000000000003 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.430000000000007 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.200000000000003 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 74.140000000000001 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.219999999999999 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' HE3' ' A' ' 48' ' ' MET . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 73.549999999999997 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 71.25 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 72.150000000000006 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.409999999999997 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.310000000000002 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.209999999999994 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 74.230000000000004 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 72.25 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 61.43 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 73.340000000000003 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.200000000000003 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 71.349999999999994 108.903 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.530000000000001 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 72.340000000000003 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 74.200000000000003 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.240000000000002 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.430000000000007 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 73.439999999999998 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.494 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.439999999999998 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 71.129999999999995 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 74.450000000000003 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.439999999999998 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.450000000000003 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.200000000000003 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 74.049999999999997 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.46 HD11 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 74.409999999999997 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.430000000000007 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.409999999999997 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 70.030000000000001 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.340000000000003 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.049999999999997 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 74.340000000000003 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HD23 ' A' ' 16' ' ' LEU . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.340000000000003 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 64.420000000000002 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 74.150000000000006 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.400000000000006 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.209999999999994 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.129999999999995 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 73.019999999999996 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.508 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 72.109999999999999 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.319999999999993 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 64.340000000000003 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . 0.507 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.120000000000005 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.457 HD11 ' HZ2' ' A' ' 61' ' ' LYS . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 71.5 110.174 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 75.420000000000002 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HZ2' HD11 ' A' ' 59' ' ' ILE . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.299999999999997 108.69 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.310000000000002 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.46 ' HH2' HD11 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.430000000000007 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.010000000000005 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 70.420000000000002 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.239999999999995 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.129999999999995 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 74.329999999999998 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 75.040000000000006 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.129999999999995 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.409999999999997 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.340000000000003 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.349999999999994 114.634 -169.079 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-O 121.539 0.685 . . . . 75.150000000000006 109.816 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.439999999999998 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.140000000000001 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' HG11 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.319999999999993 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.200000000000003 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 75.200000000000003 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 74.120000000000005 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 71.409999999999997 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.439999999999998 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.120000000000005 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.439999999999998 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.319999999999993 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.140000000000001 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 75.310000000000002 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 75.349999999999994 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 73.219999999999999 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 71.109999999999999 110.761 172.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 73.329999999999998 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 74.450000000000003 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.140000000000001 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.219999999999999 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.230000000000004 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.209999999999994 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 74.310000000000002 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 75.329999999999998 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.498 HG22 ' HE2' ' A' ' 48' ' ' MET . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.530000000000001 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 71.430000000000007 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.340000000000003 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.420000000000002 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 70.230000000000004 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.329999999999998 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 72.299999999999997 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 75.010000000000005 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.230000000000004 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.407 HG23 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.530000000000001 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 73.140000000000001 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 74.329999999999998 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 75.209999999999994 111.029 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.349999999999994 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 74.510000000000005 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.439999999999998 112.708 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE2' HG22 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 74.230000000000004 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 75.409999999999997 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.329999999999998 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 75.299999999999997 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.420000000000002 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 75.510000000000005 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 73.439999999999998 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 73.030000000000001 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 73.129999999999995 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 74.430000000000007 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.310000000000002 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 75.019999999999996 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 74.530000000000001 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 73.239999999999995 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.439999999999998 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CH2' HG23 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.409999999999997 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.400000000000006 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.219999999999999 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 75.219999999999999 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.239999999999995 109.152 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.310000000000002 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 75.030000000000001 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 72.340000000000003 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.040000000000006 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 74.510000000000005 112.056 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.24 0.575 0 CA-C-O 121.983 0.897 . . . . 71.019999999999996 108.632 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.540000000000006 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.340000000000003 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 73.439999999999998 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 71.010000000000005 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 63.439999999999998 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.520000000000003 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 73.329999999999998 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 73.239999999999995 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.209999999999994 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.240000000000002 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HE2' ' A' ' 48' ' ' MET . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.439999999999998 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 63.119999999999997 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 74.299999999999997 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 70.239999999999995 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.040000000000006 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.120000000000005 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 73.409999999999997 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.340000000000003 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.329999999999998 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.439999999999998 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 70.450000000000003 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 75.530000000000001 109.69 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.239999999999995 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 74.049999999999997 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 71.329999999999998 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HE1' ' A' ' 48' ' ' MET . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 72.239999999999995 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.430000000000007 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.409999999999997 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.340000000000003 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.310000000000002 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 62.109999999999999 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 73.329999999999998 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.210000000000001 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.400000000000006 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.099999999999994 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.200000000000003 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 73.409999999999997 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.340000000000003 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.420000000000002 109.326 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 75.409999999999997 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 74.420000000000002 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 72.140000000000001 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' MET . . . . . 0.559 ' HE2' HD23 ' A' ' 16' ' ' LEU . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.209999999999994 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.510000000000005 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.140000000000001 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.209999999999994 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 73.129999999999995 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.319999999999993 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.329999999999998 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.120000000000005 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 73.140000000000001 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.409999999999997 110.795 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.43 HG23 ' HB1' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.400000000000006 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 74.340000000000003 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.340000000000003 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 70.310000000000002 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.530000000000001 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.409999999999997 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 74.030000000000001 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 74.25 110.106 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 72.150000000000006 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 72.420000000000002 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.329999999999998 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 75.200000000000003 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 74.239999999999995 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.209999999999994 111.753 -179.609 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.985 -0.376 . . . . 73.239999999999995 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.82 155.86 6.89 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.057 -0.817 . . . . 62.32 111.057 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.86 108.03 19.58 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.074 -1.084 . . . . 74.340000000000003 108.074 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m -68.93 81.4 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 74.329999999999998 109.68 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.200000000000003 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.209999999999994 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' HB ' HG11 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 70.120000000000005 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.526 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.329999999999998 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.209999999999994 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.436 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 73.319999999999993 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 75.420000000000002 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.533 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.530000000000001 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.120000000000005 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 72.400000000000006 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.564 HD22 ' HE2' ' A' ' 48' ' ' MET . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.019999999999996 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.140000000000001 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.438 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 74.420000000000002 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 73.209999999999994 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.010000000000005 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.4 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 73.409999999999997 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 74.019999999999996 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.530000000000001 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 74.400000000000006 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 74.310000000000002 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 74.209999999999994 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.438 HD22 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 75.540000000000006 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 74.439999999999998 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.526 ' HB3' HG21 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 73.209999999999994 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.129999999999995 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.51 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 74.129999999999995 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.239999999999995 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 73.340000000000003 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 75.019999999999996 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 72.109999999999999 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 75.140000000000001 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.209999999999994 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.406 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.450000000000003 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 74.25 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 74.430000000000007 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.120000000000005 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.406 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.420000000000002 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 75.430000000000007 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.310000000000002 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.564 ' HE2' HD22 ' A' ' 16' ' ' LEU . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 71.400000000000006 111.0 176.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 75.519999999999996 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.508 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 75.340000000000003 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 73.299999999999997 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.401 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.230000000000004 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.508 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 75.040000000000006 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 71.0 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.329999999999998 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 64.0 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.401 HG21 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.420000000000002 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.486 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.329999999999998 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 73.129999999999995 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.512 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.310000000000002 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.430000000000007 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.120000000000005 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.420000000000002 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 74.530000000000001 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 75.239999999999995 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.51 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.209999999999994 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 75.099999999999994 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.466 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 73.319999999999993 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 72.200000000000003 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.512 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 73.099999999999994 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.549999999999997 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.486 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.329999999999998 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.11 76.37 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 65.5 112.983 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 p -106.37 87.55 2.57 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.756 -0.831 . . . . 73.530000000000001 108.756 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.445 HD22 ' HG3' ' A' ' 77' ' ' GLU . 1.6 tt -71.51 -75.29 0.13 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.314 -0.995 . . . . 75.219999999999999 108.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.445 ' HG3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -150.19 -106.06 0.07 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.634 0.774 . . . . 72.340000000000003 110.473 171.25 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -132.13 -10.77 3.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.442 0.905 . . . . 74.530000000000001 113.442 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -67.16 118.7 10.93 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.829 0.741 . . . . 61.509999999999998 110.376 -171.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.96 4.74 53.46 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.348 0.659 . . . . 74.040000000000006 110.492 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -59.73 127.82 33.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.772 -0.825 . . . . 74.010000000000005 108.772 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -40.22 -47.28 2.41 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.263 1.425 . . . . 72.409999999999997 112.419 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.556 1.181 0 N-CA-C 107.753 -1.203 . . . . 74.430000000000007 107.753 173.846 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.429 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 pmm? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.928 0.394 . . . . 75.409999999999997 110.205 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.68 66.85 3.68 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.877 -0.602 . . . . 72.140000000000001 113.069 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.32 122.54 29.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.594 0.758 . . . . 71.120000000000005 110.741 177.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m -82.56 70.87 9.61 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 72.019999999999996 108.935 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.230000000000004 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.486 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.120000000000005 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' HG11 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.519999999999996 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.463 HG23 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.420000000000002 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 64.239999999999995 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.129999999999995 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 73.420000000000002 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.319999999999993 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.439999999999998 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.219999999999999 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 75.0 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 63.130000000000003 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 74.510000000000005 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 72.540000000000006 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.456 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 75.099999999999994 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 75.099999999999994 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 73.230000000000004 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.549999999999997 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.456 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 75.019999999999996 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.510000000000005 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 71.109999999999999 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 71.109999999999999 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 74.049999999999997 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 74.5 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.239999999999995 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.486 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.349999999999994 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.467 HG22 ' HE2' ' A' ' 48' ' ' MET . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.209999999999994 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.562 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.400000000000006 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.129999999999995 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.009999999999998 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.129999999999995 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.109999999999999 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.100000000000001 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.475 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.405 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.409999999999997 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 71.340000000000003 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.472 HG22 HD21 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 61.130000000000003 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.120000000000005 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.405 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.439999999999998 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.424 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.540000000000006 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.209999999999994 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 75.519999999999996 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 75.219999999999999 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HG22 ' A' ' 31' ' ' VAL . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 75.150000000000006 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.340000000000003 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.340000000000003 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 65.099999999999994 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 73.439999999999998 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 72.340000000000003 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.150000000000006 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.040000000000006 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.520000000000003 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 73.430000000000007 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 71.120000000000005 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 74.209999999999994 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.010000000000005 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 75.219999999999999 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.140000000000001 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.329999999999998 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.519999999999996 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.010000000000005 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.439999999999998 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.430000000000007 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.472 HD21 HG22 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.109999999999999 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.562 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.450000000000003 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.420000000000002 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.340000000000003 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 75.329999999999998 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.431 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 72.209999999999994 109.258 169.057 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.12 -30.75 13.34 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.329999999999998 110.847 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.3 m -122.46 117.69 26.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.999 0.92 . . . . 63.43 109.104 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.431 ' HG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 tt -84.03 126.32 32.94 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.31 -0.996 . . . . 74.319999999999993 108.31 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.1 125.44 23.63 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.99 1.316 . . . . 63.25 110.637 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -118.05 88.05 2.84 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.741 -0.6 . . . . 75.209999999999994 111.145 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -73.35 130.26 39.78 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.595 -1.261 . . . . 74.349999999999994 107.595 165.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.76 97.01 0.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.559 0.537 . . . . 65.310000000000002 110.733 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -148.97 96.07 2.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.186 0.994 . . . . 72.219999999999999 109.623 -175.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -149.96 112.9 4.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.83 0.852 . . . . 74.030000000000001 109.621 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 123.581 0.752 . . . . 62.299999999999997 109.045 175.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.352 -0.61 . . . . 72.519999999999996 109.352 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.57 103.5 1.35 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.836 -0.906 . . . . 63.32 110.836 172.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.17 -43.01 82.21 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.59 -0.893 . . . . 71.109999999999999 108.59 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m -77.9 87.04 4.1 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.509999999999998 107.759 164.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.420000000000002 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.219999999999999 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.566 ' HB ' HG11 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.099999999999994 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.519999999999996 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.420000000000002 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 73.439999999999998 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 75.310000000000002 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 70.150000000000006 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 75.340000000000003 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD11 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 74.319999999999993 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.442 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 73.150000000000006 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.040000000000006 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.44 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.150000000000006 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.525 ' HB2' HD13 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 75.310000000000002 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 75.340000000000003 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.479 ' HZ1' ' HB2' ' A' ' 21' ' ' LYS . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 75.510000000000005 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.430000000000007 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.54 HG22 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 74.430000000000007 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.310000000000002 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . 0.407 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 75.209999999999994 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 61.299999999999997 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.409999999999997 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.200000000000003 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.462 HD22 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.310000000000002 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.428 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 74.040000000000006 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.566 HG11 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 74.019999999999996 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.496 ' HB3' HG21 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.019999999999996 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.219999999999999 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.329999999999998 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 74.129999999999995 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.200000000000003 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.129999999999995 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 65.120000000000005 110.371 -177.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.299999999999997 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.461 HG21 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.400000000000006 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.209999999999994 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.319999999999993 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.340000000000003 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 72.049999999999997 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 73.0 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.436 ' HB3' HD22 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 75.230000000000004 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.516 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.219999999999999 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.140000000000001 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 71.129999999999995 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 75.430000000000007 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 74.129999999999995 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.219999999999999 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.420000000000002 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.54 ' HB ' HG22 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.230000000000004 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.040000000000006 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 71.430000000000007 110.709 178.139 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.488 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.319999999999993 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 73.140000000000001 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.219999999999999 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.430000000000007 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.219999999999999 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.329999999999998 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.209999999999994 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.239999999999995 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 72.5 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 71.439999999999998 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.461 HD22 HG21 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 74.409999999999997 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 75.230000000000004 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.219999999999999 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.428 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.439999999999998 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.525 HD13 ' HB2' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.540000000000006 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.488 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 71.200000000000003 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.23 -42.9 27.33 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 73.319999999999993 111.115 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.1 p -166.81 128.41 1.69 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.386 0.674 . . . . 74.430000000000007 110.76 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.05 -44.1 9.04 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.418 -1.327 . . . . 74.340000000000003 107.418 160.128 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.4 29.26 0.19 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.547 1.139 . . . . 74.310000000000002 113.267 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.56 -10.31 59.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.369 -0.604 . . . . 74.109999999999999 109.369 157.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -70.44 126.0 28.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.171 0.988 . . . . 73.530000000000001 108.995 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -103.36 3.21 34.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.903 0.881 . . . . 75.420000000000002 111.03 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -156.63 144.89 19.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.303 0.641 . . . . 74.340000000000003 110.399 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -169.05 177.33 4.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.655 1.182 . . . . 71.510000000000005 109.171 164.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.501 -0.555 . . . . 75.430000000000007 109.501 178.178 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.633 -0.506 . . . . 73.310000000000002 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.24 72.38 2.81 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.28 0.363 . . . . 62.539999999999999 112.46 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.444 HD13 HD22 ' A' ' 27' ' ' LEU . 1.9 pt? -134.86 2.16 3.1 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.775 0.83 . . . . 73.340000000000003 109.923 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -72.46 78.9 1.04 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.306 1.042 . . . . 72.310000000000002 109.852 -174.475 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.569 ' HE ' HD13 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.129999999999995 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.200000000000003 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.58 ' HB ' HG13 ' A' ' 31' ' ' VAL . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.340000000000003 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.507 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.420000000000002 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 73.310000000000002 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.402 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.120000000000005 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 74.409999999999997 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.555 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.120000000000005 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.209999999999994 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.109999999999999 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.310000000000002 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 73.319999999999993 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 74.25 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.476 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 75.439999999999998 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.340000000000003 110.378 175.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.329999999999998 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.409999999999997 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 72.319999999999993 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.520000000000003 110.125 -174.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.439999999999998 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.409999999999997 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 73.25 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 HD22 HD13 ' A' ' 3' ' ' LEU . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.540000000000006 109.708 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.229999999999997 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.450000000000003 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 74.329999999999998 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.58 HG13 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 74.430000000000007 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.329999999999998 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.450000000000003 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.329999999999998 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . 0.402 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.109999999999999 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 71.140000000000001 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.140000000000001 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.349999999999994 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.120000000000005 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 64.120000000000005 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.540000000000006 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.219999999999999 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.555 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.450000000000003 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.329999999999998 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.498 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 71.349999999999994 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 72.109999999999999 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.424 ' HB3' HD13 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.240000000000002 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.504 ' HE2' HG22 ' A' ' 31' ' ' VAL . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.319999999999993 111.613 178.2 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 75.239999999999995 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 75.099999999999994 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.540000000000006 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 63.43 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 74.310000000000002 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 75.099999999999994 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 73.510000000000005 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 73.030000000000001 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 74.150000000000006 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.563 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.120000000000005 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.42 ' HB ' HG22 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.510000000000005 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.405 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.319999999999993 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.48 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.319999999999993 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.120000000000005 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.340000000000003 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 75.530000000000001 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.439999999999998 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 73.140000000000001 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 64.319999999999993 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.489 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.239999999999995 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.540000000000006 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.405 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 74.319999999999993 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 72.409999999999997 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.572 ' HG3' HD23 ' A' ' 76' ' ' LEU . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.239999999999995 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.66 -87.99 2.03 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.109999999999999 112.269 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -108.81 116.08 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.603 0.761 . . . . 72.409999999999997 110.266 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.572 HD23 ' HG3' ' A' ' 73' ' ' LYS . 1.5 mm? -109.98 -22.64 11.73 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.866 0.866 . . . . 74.409999999999997 110.435 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 -170.79 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.115 1.366 . . . . 54.340000000000003 109.306 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -70.96 71.95 0.55 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.813 0.845 . . . . 74.349999999999994 110.23 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -73.64 102.15 3.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.289 -0.869 . . . . 74.140000000000001 108.906 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.25 98.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.163 0.914 . . . . 73.040000000000006 110.957 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -118.98 87.16 2.68 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.543 1.163 . . . . 72.310000000000002 109.06 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -113.4 0.49 14.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.474 1.11 . . . . 72.540000000000006 108.842 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.247 0.969 0 C-N-CA 126.137 1.775 . . . . 73.349999999999994 107.71 178.816 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.063 -0.347 . . . . 74.019999999999996 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.03 -97.52 2.15 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.432 -0.667 . . . . 53.130000000000003 111.432 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.12 154.75 24.05 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.438 0.695 . . . . 73.319999999999993 109.978 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m 57.91 63.99 1.65 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.323 1.049 . . . . 65.430000000000007 111.165 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.450000000000003 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 75.450000000000003 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.532 ' HB ' HG13 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 73.400000000000006 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.496 HG21 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.510000000000005 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.010000000000005 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 75.329999999999998 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.496 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 74.219999999999999 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.140000000000001 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 63.0 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.496 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.299999999999997 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.420000000000002 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.511 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.409999999999997 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 74.329999999999998 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.340000000000003 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.511 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 75.209999999999994 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . 0.433 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.510000000000005 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 73.310000000000002 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.319999999999993 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 71.120000000000005 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.450000000000003 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 74.530000000000001 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 74.150000000000006 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.129999999999995 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.109999999999999 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG13 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 75.310000000000002 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.553 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.310000000000002 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.349999999999994 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.430000000000007 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.319999999999993 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.239999999999995 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 75.329999999999998 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 75.209999999999994 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.639 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.329999999999998 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 71.430000000000007 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.209999999999994 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 64.439999999999998 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.310000000000002 110.346 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 71.420000000000002 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.430000000000007 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 73.239999999999995 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.439999999999998 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.431 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 75.340000000000003 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.439999999999998 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.467 ' HB3' HG21 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 72.540000000000006 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.431 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.439999999999998 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.040000000000006 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 62.520000000000003 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.340000000000003 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 73.450000000000003 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.430000000000007 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.467 HG21 ' HB3' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.239999999999995 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.150000000000006 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 63.219999999999999 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 62.210000000000001 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.450000000000003 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.140000000000001 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.109999999999999 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.040000000000006 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 74.140000000000001 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 74.349999999999994 110.914 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.553 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.319999999999993 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.229999999999997 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 72.439999999999998 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 75.450000000000003 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.539 ' HG3' HD22 ' A' ' 76' ' ' LEU . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 73.430000000000007 111.273 -170.701 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.14 35.27 1.94 Allowed Glycine 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 43.25 113.193 174.115 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.0 p -158.23 91.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.293 0.547 . . . . 52.509999999999998 110.727 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.539 HD22 ' HG3' ' A' ' 73' ' ' LYS . 3.3 mm? -128.23 133.9 48.9 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.983 -0.747 . . . . 75.200000000000003 108.983 171.675 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.29 -32.4 73.98 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.881 0.848 . . . . 73.310000000000002 110.303 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -111.73 87.8 2.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.721 -1.127 . . . . 62.450000000000003 108.388 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -63.57 98.7 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.899 -1.046 . . . . 74.329999999999998 109.258 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -135.75 156.63 48.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.275 0.56 . . . . 72.409999999999997 111.24 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -156.04 24.88 0.37 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.101 -1.408 . . . . 73.230000000000004 109.117 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.27 129.06 38.8 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.778 0.831 . . . . 75.019999999999996 111.558 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 CA--C 1.555 1.167 0 C-N-CA 124.412 1.085 . . . . 71.200000000000003 108.301 173.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.38 -0.6 . . . . 73.319999999999993 109.38 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.25 -155.86 23.13 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.783 0.677 . . . . 74.019999999999996 112.652 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.7 mt -118.68 -33.43 4.27 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.898 0.879 . . . . 74.439999999999998 110.194 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -90.94 170.25 10.22 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.555 1.142 . . . . 74.420000000000002 110.502 -176.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.439999999999998 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 63.32 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.559 ' HB ' HG11 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.200000000000003 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.521 HG21 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.409999999999997 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.400000000000006 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.150000000000006 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.319999999999993 109.875 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 74.099999999999994 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.439999999999998 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.409999999999997 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 75.010000000000005 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 74.430000000000007 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 65.549999999999997 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 74.519999999999996 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.488 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.430000000000007 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.120000000000005 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 73.239999999999995 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 74.319999999999993 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.329999999999998 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.240000000000002 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.340000000000003 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 73.209999999999994 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.230000000000004 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.120000000000005 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.488 HD22 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 73.319999999999993 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.150000000000006 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.559 HG11 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.409999999999997 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.565 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.439999999999998 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.530000000000001 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.409999999999997 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.140000000000001 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 74.25 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.486 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.420000000000002 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 72.099999999999994 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.310000000000002 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.428 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 74.530000000000001 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.486 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.430000000000007 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.219999999999999 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 74.010000000000005 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.420000000000002 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 71.329999999999998 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.120000000000005 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.442 ' HE2' HG21 ' A' ' 31' ' ' VAL . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.099999999999994 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 62.100000000000001 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.299999999999997 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.310000000000002 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.209999999999994 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 73.120000000000005 110.27 178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.430000000000007 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 73.099999999999994 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.239999999999995 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.400000000000006 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.040000000000006 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 74.200000000000003 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.403 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.299999999999997 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 74.319999999999993 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 75.25 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.340000000000003 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.450000000000003 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.509999999999998 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.439999999999998 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.219999999999999 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 64.140000000000001 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.565 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.120000000000005 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.420000000000002 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.403 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.310000000000002 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.209999999999994 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.310000000000002 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.09 73.72 Favored Glycine 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.129999999999995 112.453 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -171.5 -178.77 2.39 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.443 1.097 . . . . 63.409999999999997 110.302 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.4 mt -132.18 -172.23 2.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.167 1.387 . . . . 74.400000000000006 108.382 168.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.11 165.88 24.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.029 -0.73 . . . . 64.140000000000001 109.029 171.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -70.72 82.47 0.62 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.42 0.629 . . . . 72.25 109.641 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.74 -3.93 53.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.746 0.819 . . . . 75.129999999999995 110.687 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -74.2 101.07 3.86 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.105 0.562 . . . . 73.230000000000004 111.512 -171.115 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -116.8 168.03 10.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.532 1.133 . . . . 74.120000000000005 108.355 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -154.08 151.94 29.88 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.752 0.421 . . . . 74.140000000000001 110.242 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--O 1.252 1.209 0 N-CA-C 108.104 -1.073 . . . . 72.299999999999997 108.104 -179.001 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.411 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.231 0.086 . . . . 72.120000000000005 111.231 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 68.89 3.47 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 111.654 -0.578 . . . . 74.549999999999997 111.654 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.438 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.3 pt? -68.31 139.12 55.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.623 0.769 . . . . 63.530000000000001 110.911 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -79.03 81.1 5.33 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 63.43 108.6 174.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.510000000000005 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.140000000000001 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.483 ' HB ' HG13 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.040000000000006 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 63.219999999999999 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 73.409999999999997 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.510000000000005 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.549999999999997 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.349999999999994 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.450000000000003 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 71.109999999999999 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.150000000000006 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 70.109999999999999 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 74.099999999999994 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 62.509999999999998 109.934 177.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.42 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 74.150000000000006 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.521 HD11 HD13 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 74.430000000000007 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 72.230000000000004 110.098 172.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.299999999999997 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.459 HD12 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 74.319999999999993 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.109999999999999 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 74.409999999999997 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 53.299999999999997 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 65.430000000000007 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.120000000000005 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.42 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 75.349999999999994 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 71.129999999999995 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.483 HG13 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.200000000000003 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.593 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.010000000000005 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.219999999999999 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.129999999999995 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 74.420000000000002 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 70.0 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.42 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.030000000000001 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 75.209999999999994 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 72.400000000000006 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.433 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.42 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.329999999999998 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.319999999999993 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 75.040000000000006 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 70.120000000000005 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 73.030000000000001 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.47 ' HE2' HG23 ' A' ' 31' ' ' VAL . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.299999999999997 111.609 176.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.329999999999998 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.319999999999993 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.521 HD13 HD11 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 72.140000000000001 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 62.229999999999997 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 75.010000000000005 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.439999999999998 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.219999999999999 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 71.109999999999999 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.535 ' HA ' HD13 ' A' ' 76' ' ' LEU . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.140000000000001 109.023 172.399 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.150000000000006 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.476 ' HB ' HG22 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 75.5 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.455 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.219999999999999 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.44 ' HE3' HD13 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 74.010000000000005 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 72.340000000000003 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.433 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.129999999999995 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.099999999999994 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 70.140000000000001 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 65.340000000000003 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.129999999999995 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.593 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 73.439999999999998 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.476 HG22 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.540000000000006 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 74.420000000000002 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.459 ' HB3' HD12 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.109999999999999 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.439 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 74.099999999999994 110.288 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.6 -38.46 71.55 Favored Glycine 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 74.319999999999993 111.496 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -100.63 100.04 10.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.663 1.185 . . . . 74.219999999999999 108.48 168.693 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 57' ' ' VAL . 3.0 tt -80.01 -60.38 2.36 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.236 -1.024 . . . . 71.340000000000003 108.236 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.49 164.46 38.65 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.141 -0.936 . . . . 75.340000000000003 111.529 -170.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 150.68 43.97 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.894 -1.048 . . . . 74.540000000000006 110.071 171.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -76.14 96.47 3.88 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.225 0.536 . . . . 74.109999999999999 111.01 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -84.75 -167.31 1.76 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.867 0.867 . . . . 75.430000000000007 109.148 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -67.19 150.91 48.45 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.62 -0.511 . . . . 72.019999999999996 109.62 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.48 72.65 1.89 Allowed 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 122.305 1.05 . . . . 75.140000000000001 110.492 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 108.072 -1.084 . . . . 72.329999999999998 108.072 -172.528 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.52 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.582 0.706 . . . . 74.349999999999994 110.249 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -78.79 1.16 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.299 -0.864 . . . . 72.420000000000002 113.054 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.31 159.88 25.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 73.25 112.669 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m -77.11 101.35 6.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.823 -0.626 . . . . 75.400000000000006 109.463 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.200000000000003 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 72.519999999999996 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.481 ' HB ' HG11 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 71.109999999999999 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.140000000000001 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.200000000000003 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.150000000000006 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 71.540000000000006 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.464 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 73.140000000000001 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.219999999999999 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.240000000000002 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 71.340000000000003 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.464 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 73.439999999999998 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.299999999999997 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.209999999999994 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.437 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.140000000000001 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 73.549999999999997 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 75.25 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 75.140000000000001 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG21 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.310000000000002 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 75.530000000000001 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.200000000000003 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.510000000000005 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.299999999999997 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 75.409999999999997 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.430000000000007 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.481 HG11 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.439999999999998 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 65.299999999999997 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.310000000000002 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.439999999999998 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.209999999999994 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.209999999999994 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 65.019999999999996 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.478 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 74.239999999999995 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.340000000000003 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.319999999999993 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.449 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 71.319999999999993 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.310000000000002 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 73.030000000000001 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.449 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 72.109999999999999 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 73.239999999999995 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 71.129999999999995 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.638 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.530000000000001 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.421 ' HG2' HD11 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.120000000000005 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.456 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.329999999999998 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 74.319999999999993 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.310000000000002 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.456 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 70.019999999999996 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 75.510000000000005 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 72.319999999999993 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 74.219999999999999 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 62.329999999999998 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.537 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.229999999999997 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.421 HD11 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.109999999999999 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.443 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 73.420000000000002 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.511 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.200000000000003 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.530000000000001 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.310000000000002 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 73.0 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.200000000000003 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.530000000000001 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 75.400000000000006 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.230000000000004 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 71.319999999999993 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.511 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.530000000000001 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 74.329999999999998 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.638 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.310000000000002 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.537 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.209999999999994 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.468 ' HA2' HG21 ' A' ' 23' ' ' ILE . . . -105.2 -84.27 1.74 Allowed Glycine 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.120000000000005 113.27 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -95.61 87.28 4.67 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.372 0.669 . . . . 73.329999999999998 110.477 -171.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.414 ' HG ' ' HD3' ' A' ' 73' ' ' LYS . 4.3 mm? -117.51 146.35 43.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.684 0.794 . . . . 72.400000000000006 110.649 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -93.89 101.66 13.75 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.743 0.817 . . . . 64.540000000000006 110.335 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -150.13 71.02 1.05 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 106.688 -1.597 . . . . 71.109999999999999 106.688 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -57.84 91.24 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 113.965 -1.471 . . . . 73.340000000000003 112.605 -166.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -141.02 178.53 7.31 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.035 1.334 . . . . 74.310000000000002 108.953 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -132.5 117.77 18.44 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.869 0.868 . . . . 75.340000000000003 109.341 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -78.37 176.49 9.28 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.508 0.723 . . . . 70.120000000000005 110.149 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 CA--C 1.569 1.711 0 N-CA-C 112.734 0.642 . . . . 74.340000000000003 112.734 -170.244 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 108.757 -0.831 . . . . 73.010000000000005 108.757 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -142.3 4.4 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.395 -0.682 . . . . 62.039999999999999 111.395 167.309 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.74 -17.25 51.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.872 0.469 . . . . 54.310000000000002 112.12 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.2 m -90.42 86.41 6.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.299 0.64 . . . . 75.219999999999999 110.773 -176.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 75.329999999999998 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 70.0 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.584 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.409999999999997 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.546 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 75.230000000000004 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 75.049999999999997 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.439999999999998 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.349999999999994 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.532 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 75.120000000000005 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 72.230000000000004 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.415 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 72.019999999999996 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.340000000000003 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.565 HD22 ' HE3' ' A' ' 48' ' ' MET . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 64.430000000000007 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.239999999999995 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 71.120000000000005 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.465 ' HB1' ' HE1' ' A' ' 48' ' ' MET . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.450000000000003 110.374 173.78 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.129999999999995 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.239999999999995 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.493 HD13 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.439999999999998 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.349999999999994 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.349999999999994 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 74.310000000000002 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 64.409999999999997 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.230000000000004 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 74.209999999999994 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.530000000000001 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.584 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 75.319999999999993 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.230000000000004 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 75.340000000000003 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.506 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.530000000000001 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.030000000000001 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.129999999999995 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 74.120000000000005 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.439999999999998 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 72.209999999999994 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 74.109999999999999 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.434 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.420000000000002 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.140000000000001 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 74.120000000000005 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 73.450000000000003 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.434 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.120000000000005 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.239999999999995 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.140000000000001 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.565 ' HE3' HD22 ' A' ' 16' ' ' LEU . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 73.230000000000004 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.099999999999994 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.465 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 62.350000000000001 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 72.25 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.409 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.430000000000007 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 70.109999999999999 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.465 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.430000000000007 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 74.409999999999997 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 75.140000000000001 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 75.439999999999998 109.173 175.741 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.140000000000001 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.409 HG23 ' HB1' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 73.329999999999998 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.602 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 72.409999999999997 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 74.329999999999998 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.299999999999997 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 72.239999999999995 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 53.409999999999997 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.506 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.150000000000006 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 74.299999999999997 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 75.530000000000001 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 73.430000000000007 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.602 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 72.140000000000001 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' HB3' HD13 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.329999999999998 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.510000000000005 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.76 -24.58 64.45 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.420000000000002 113.498 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.3 t -173.56 166.93 4.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.183 0.593 . . . . 74.400000000000006 111.388 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 12.9 mt -144.65 152.62 40.74 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.789 1.236 . . . . 73.129999999999995 109.15 164.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.99 -27.14 48.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 114.912 -1.04 . . . . 74.430000000000007 109.536 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -75.15 -2.16 26.43 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.917 0.887 . . . . 74.430000000000007 112.897 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -98.74 100.41 11.62 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.999 -1.482 . . . . 75.040000000000006 106.999 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.63 126.14 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.889 0.876 . . . . 74.540000000000006 111.978 -168.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -75.31 97.09 3.5 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.606 -0.887 . . . . 71.25 108.606 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -76.64 144.68 39.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.503 0.721 . . . . 75.239999999999995 111.225 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.7 m80 . . . . . 0 N--CA 1.478 0.963 0 C-N-CA 124.396 1.078 . . . . 72.430000000000007 108.788 177.012 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.325 -0.62 . . . . 71.25 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.26 53.68 42.59 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 123.777 0.673 . . . . 44.240000000000002 112.219 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.07 122.29 22.44 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.414 0.685 . . . . 62.32 109.998 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.87 84.76 2.81 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.209999999999994 109.089 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 74.109999999999999 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 72.409999999999997 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.574 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 71.209999999999994 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.439 HG23 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 74.420000000000002 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.510000000000005 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.319999999999993 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.430000000000007 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.209999999999994 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.310000000000002 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 75.129999999999995 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 74.420000000000002 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.426 HD22 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.319999999999993 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 74.109999999999999 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 64.239999999999995 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.588 ' HB2' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 62.119999999999997 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 74.200000000000003 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 64.430000000000007 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 75.349999999999994 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.426 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 73.299999999999997 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.510000000000005 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 73.049999999999997 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.020000000000003 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 71.150000000000006 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.120000000000005 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.45 HD22 HD13 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 75.519999999999996 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.329999999999998 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.574 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.140000000000001 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.574 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.129999999999995 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.209999999999994 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.350000000000001 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.129999999999995 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.473 HG21 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 73.140000000000001 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.310000000000002 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.46 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.439999999999998 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 75.310000000000002 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.519999999999996 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 71.120000000000005 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.46 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.299999999999997 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.120000000000005 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.200000000000003 111.541 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.200000000000003 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.340000000000003 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.426 ' HB3' HD22 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.310000000000002 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.694 ' SD ' HD13 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 74.209999999999994 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.319999999999993 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 64.299999999999997 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 64.349999999999994 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 64.129999999999995 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 72.099999999999994 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.51 ' HB2' ' HZ3' ' A' ' 54' ' ' LYS . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.209999999999994 112.366 -176.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 74.140000000000001 111.273 174.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.129999999999995 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.329999999999998 110.737 -177.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.310000000000002 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.471 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 74.019999999999996 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.099999999999994 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.471 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 72.209999999999994 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.129999999999995 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 75.099999999999994 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.349999999999994 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.430000000000007 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.473 ' HB3' HG21 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 74.519999999999996 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 75.230000000000004 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.230000000000004 108.92 178.711 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.574 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.239999999999995 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.450000000000003 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.230000000000004 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.694 HD13 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 73.129999999999995 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.209999999999994 110.029 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.53 -86.64 1.86 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 72.230000000000004 109.286 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -87.39 98.01 11.13 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.445 -0.946 . . . . 70.239999999999995 108.445 173.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -81.31 -46.82 14.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.679 0.792 . . . . 71.109999999999999 110.089 -178.08 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -162.7 1.22 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.755 1.222 . . . . 72.439999999999998 109.874 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.96 127.42 26.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.227 1.011 . . . . 74.549999999999997 112.698 -173.153 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -149.64 92.87 1.97 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.219 1.407 . . . . 73.230000000000004 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -75.6 -31.11 59.81 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.245 -0.65 . . . . 75.430000000000007 109.245 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -129.93 174.68 9.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 72.519999999999996 109.955 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -154.39 133.71 12.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.463 -0.94 . . . . 73.519999999999996 108.463 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 109.457 -0.571 . . . . 71.010000000000005 109.457 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 72.239999999999995 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.76 31.49 0.07 OUTLIER Glycine 0 C--N 1.339 0.742 0 O-C-N 123.605 0.566 . . . . 51.299999999999997 112.37 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.49 123.71 25.25 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.228 -1.027 . . . . 75.319999999999993 108.228 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -79.39 93.49 5.36 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 108.953 -0.758 . . . . 74.099999999999994 108.953 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 73.340000000000003 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.129999999999995 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG11 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.239999999999995 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.471 HG23 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 65.140000000000001 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.229999999999997 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 75.25 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.463 HD22 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.319999999999993 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.525 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 75.310000000000002 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.463 ' HB2' HD22 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 71.329999999999998 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 73.540000000000006 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 71.540000000000006 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.475 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 71.439999999999998 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 70.340000000000003 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.505 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 73.409999999999997 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.209999999999994 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 74.540000000000006 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.505 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 74.530000000000001 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 72.049999999999997 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 63.229999999999997 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.019999999999996 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 63.020000000000003 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 74.439999999999998 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.030000000000001 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.219999999999999 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 74.239999999999995 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.230000000000004 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG11 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 74.299999999999997 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HB3' HG23 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 71.340000000000003 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 74.310000000000002 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.310000000000002 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 72.420000000000002 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 73.040000000000006 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 64.409999999999997 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.462 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 70.150000000000006 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.529 ' HB2' ' HZ3' ' A' ' 39' ' ' LYS . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 74.299999999999997 111.071 -175.095 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 75.129999999999995 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.525 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 74.109999999999999 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.329999999999998 109.991 177.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 74.150000000000006 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.030000000000001 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.230000000000004 113.627 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 75.0 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.439999999999998 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.349999999999994 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 75.540000000000006 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.438 ' HA ' HG23 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.299999999999997 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 72.340000000000003 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.430000000000007 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.549999999999997 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.340000000000003 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.438 HG23 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 74.219999999999999 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 74.420000000000002 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 72.129999999999995 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.487 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.329999999999998 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.450000000000003 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.129999999999995 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 71.319999999999993 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 74.349999999999994 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 53.350000000000001 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.455 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.439999999999998 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.340000000000003 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.329999999999998 110.616 -177.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.442 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 75.019999999999996 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.487 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 74.430000000000007 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 74.019999999999996 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.439999999999998 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HZ3' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.510000000000005 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.95 -112.72 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.009999999999998 111.564 171.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.2 m -86.98 130.44 34.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.421 0.688 . . . . 71.219999999999999 111.822 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -127.83 136.74 51.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.501 0.721 . . . . 75.150000000000006 110.927 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 35.21 50.35 0.5 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.232 2.213 . . . . 73.109999999999999 115.636 165.009 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 m80 55.48 25.87 8.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 114.791 1.404 . . . . 73.019999999999996 114.791 160.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.58 16.45 0.5 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.963 0.727 . . . . 65.420000000000002 112.963 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -92.81 15.73 14.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.97 0.908 . . . . 74.219999999999999 110.537 162.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -72.04 92.59 1.32 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.546 -0.909 . . . . 74.349999999999994 108.546 175.262 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -72.6 116.87 13.58 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.099 -0.704 . . . . 74.319999999999993 109.099 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 108.435 -0.95 . . . . 72.120000000000005 108.435 179.614 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.428 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.869 0.366 . . . . 64.319999999999993 110.282 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.419 ' HA2' HD23 ' A' ' 27' ' ' LEU . . . -92.03 78.35 1.26 Allowed Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.643 -0.708 . . . . 73.099999999999994 112.446 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pp -142.75 148.16 36.76 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 72.200000000000003 108.92 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m -82.8 80.93 8.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 75.219999999999999 109.79 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.319999999999993 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.44 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 65.450000000000003 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.423 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 75.409999999999997 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.456 HG21 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 72.239999999999995 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.549999999999997 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 73.439999999999998 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.120000000000005 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.505 ' HA ' HD11 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 71.409999999999997 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.219999999999999 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.530000000000001 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.230000000000004 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.406 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.240000000000002 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 74.209999999999994 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.579 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 61.219999999999999 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.476 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 74.150000000000006 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.030000000000001 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.430000000000007 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 71.340000000000003 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.239999999999995 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 74.109999999999999 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.329999999999998 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.419 HD23 ' HA2' ' A' ' 2' ' ' GLY . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.230000000000004 110.679 -177.393 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.450000000000003 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.030000000000001 109.0 -171.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.120000000000005 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.423 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 73.549999999999997 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB3' HG21 ' A' ' 8' ' ' THR . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 73.099999999999994 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . 0.463 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.510000000000005 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.310000000000002 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 72.319999999999993 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 73.140000000000001 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.409999999999997 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.435 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 70.319999999999993 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 72.230000000000004 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.463 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.239999999999995 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.403 HG23 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.219999999999999 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.030000000000001 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.496 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.439999999999998 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 74.120000000000005 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.310000000000002 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.496 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 73.420000000000002 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.239999999999995 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.494 ' HG3' HD13 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 71.400000000000006 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.430000000000007 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.430000000000007 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 75.099999999999994 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.408 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 73.400000000000006 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.349999999999994 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 73.239999999999995 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.349999999999994 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.420000000000002 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.408 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 73.549999999999997 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.465 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 75.5 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 73.140000000000001 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 72.430000000000007 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 73.519999999999996 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 74.319999999999993 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.403 ' HH2' HG23 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.239999999999995 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.430000000000007 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 63.420000000000002 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 73.340000000000003 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 75.209999999999994 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.310000000000002 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.444 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.319999999999993 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.494 HD13 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.430000000000007 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.549999999999997 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 71.239999999999995 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.626 ' HG3' HD23 ' A' ' 76' ' ' LEU . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 73.329999999999998 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.09 99.19 1.23 Allowed Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 73.230000000000004 111.912 -169.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 m 70.1 93.99 0.08 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.566 1.147 . . . . 73.510000000000005 112.801 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.626 HD23 ' HG3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -120.19 -45.38 2.45 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.146 1.378 . . . . 75.319999999999993 107.384 -176.578 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 95.32 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.366 0 CA-C-N 112.786 -2.006 . . . . 74.030000000000001 113.424 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -73.92 -46.43 44.36 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.998 -1.112 . . . . 74.230000000000004 107.998 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -101.45 148.39 25.24 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.919 -1.491 . . . . 70.340000000000003 108.17 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -87.9 112.82 22.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.993 -0.743 . . . . 64.349999999999994 108.993 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -62.84 112.22 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.572 0.701 . . . . 72.319999999999993 110.835 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -77.36 20.0 0.32 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.233 1.413 . . . . 73.299999999999997 112.589 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--O 1.252 1.196 0 N-CA-C 106.957 -1.497 . . . . 75.230000000000004 106.957 176.594 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.126 -0.324 . . . . 75.510000000000005 110.126 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.67 104.32 0.25 Allowed Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.9 -0.88 . . . . 73.230000000000004 110.9 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -128.44 160.56 31.89 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.146 0.978 . . . . 74.239999999999995 109.39 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -60.0 167.25 2.35 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.617 1.167 . . . . 72.329999999999998 111.296 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 74.010000000000005 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.43 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 73.219999999999999 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.432 ' HB ' HG11 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.400000000000006 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 73.140000000000001 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.019999999999996 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 74.430000000000007 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.239999999999995 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 73.329999999999998 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 73.420000000000002 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 74.200000000000003 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 74.209999999999994 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.010000000000005 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 74.230000000000004 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.593 ' HB2' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.540000000000006 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.603 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.540000000000006 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 63.520000000000003 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.530000000000001 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.49 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 73.329999999999998 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 72.140000000000001 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.549999999999997 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 70.299999999999997 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 74.439999999999998 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 73.129999999999995 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.310000000000002 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.472 HG22 ' HE3' ' A' ' 48' ' ' MET . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 74.200000000000003 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.534 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.530000000000001 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.430000000000007 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 72.430000000000007 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.040000000000006 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 75.439999999999998 110.471 178.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 71.540000000000006 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.239999999999995 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.63 ' HZ1' ' HB2' ' A' ' 39' ' ' LYS . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 74.409999999999997 110.056 -176.362 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.530000000000001 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 71.310000000000002 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.209999999999994 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.140000000000001 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.129999999999995 109.72 178.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.439999999999998 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 74.430000000000007 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.450000000000003 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.783 ' SD ' HD13 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.239999999999995 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 72.340000000000003 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.603 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 75.430000000000007 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.472 ' HA ' HG21 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 74.049999999999997 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 74.019999999999996 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.209999999999994 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 74.420000000000002 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 52.229999999999997 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.472 HG21 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.310000000000002 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.109999999999999 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 74.019999999999996 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 74.329999999999998 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.549999999999997 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.540000000000006 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.349999999999994 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 74.329999999999998 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 71.030000000000001 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 75.409999999999997 109.0 179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.120000000000005 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 75.530000000000001 111.031 -179.337 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.534 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.340000000000003 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.140000000000001 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 75.150000000000006 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.783 HD13 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 72.209999999999994 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.430000000000007 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.43 -63.03 4.33 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 65.010000000000005 114.932 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -107.91 136.75 47.09 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.696 -0.853 . . . . 70.109999999999999 108.696 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -139.61 157.27 46.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.666 0.786 . . . . 73.239999999999995 111.509 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.1 110.58 22.62 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.184 -1.371 . . . . 71.329999999999998 107.53 164.218 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -75.74 89.79 2.85 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.146 0.498 . . . . 74.540000000000006 109.776 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -85.75 61.23 6.72 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.178 0.99 . . . . 75.319999999999993 110.795 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -137.66 8.11 2.81 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.692 1.197 . . . . 74.219999999999999 108.819 166.011 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -104.38 91.43 3.9 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.105 0.962 . . . . 64.450000000000003 108.915 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.03 118.14 20.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.206 -0.664 . . . . 64.319999999999993 109.206 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 p80 . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 123.451 0.7 . . . . 75.450000000000003 109.414 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.172 -0.677 . . . . 52.329999999999998 109.172 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.31 -10.98 5.33 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 119.923 -0.376 . . . . 71.140000000000001 113.211 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.55 125.64 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.088 -0.708 . . . . 71.450000000000003 109.088 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -74.39 89.73 2.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 75.099999999999994 108.887 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 74.129999999999995 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.519999999999996 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.555 ' HB ' HG13 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 74.239999999999995 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.420000000000002 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 74.030000000000001 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.509999999999998 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.477 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 73.430000000000007 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 64.200000000000003 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.239999999999995 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.400000000000006 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 74.420000000000002 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 73.109999999999999 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.219999999999999 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.494 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.340000000000003 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.503 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.340000000000003 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 72.340000000000003 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 73.549999999999997 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.519999999999996 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.240000000000002 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 53.340000000000003 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 72.109999999999999 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 72.319999999999993 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.494 HD22 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 74.420000000000002 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.129999999999995 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.555 HG13 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 71.099999999999994 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.219999999999999 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.209999999999994 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.129999999999995 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.150000000000006 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.491 ' HA ' HD12 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.5 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.140000000000001 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 62.409999999999997 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 74.019999999999996 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.420000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.491 HD12 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 74.25 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.030000000000001 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.540000000000006 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.200000000000003 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 72.400000000000006 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.310000000000002 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 72.010000000000005 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.668 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 74.409999999999997 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.407 ' HG2' HD12 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.340000000000003 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.239999999999995 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.503 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.329999999999998 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.140000000000001 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 74.329999999999998 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.420000000000002 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 72.140000000000001 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 63.219999999999999 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.433 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 72.349999999999994 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.443 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.219999999999999 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.407 HD12 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.456 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.120000000000005 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 74.230000000000004 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.540000000000006 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 75.409999999999997 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.319999999999993 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.150000000000006 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 71.329999999999998 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.524 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.200000000000003 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 73.239999999999995 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 74.549999999999997 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.456 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.310000000000002 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.329999999999998 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.668 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.420000000000002 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.558 ' HG3' HD22 ' A' ' 76' ' ' LEU . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.310000000000002 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.4 16.01 55.56 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.349999999999994 114.399 -163.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 p -161.03 88.01 0.74 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 117.459 0.63 . . . . 74.340000000000003 111.397 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.558 HD22 ' HG3' ' A' ' 73' ' ' LYS . 2.1 mm? -122.04 -168.42 1.71 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.167 0.987 . . . . 74.409999999999997 108.758 174.452 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.32 50.58 1.64 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.516 0.726 . . . . 70.430000000000007 109.631 165.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -66.35 134.21 52.11 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 108.267 -1.012 . . . . 74.109999999999999 108.267 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -59.19 107.9 0.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.684 0.615 . . . . 75.439999999999998 111.232 -168.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -62.74 139.18 58.67 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.702 -0.681 . . . . 71.099999999999994 109.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -56.56 114.89 2.22 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 124.206 0.942 . . . . 73.129999999999995 112.049 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -93.92 35.32 1.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.461 1.104 . . . . 64.450000000000003 109.627 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.552 1.541 . . . . 71.129999999999995 107.327 -176.551 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.888 -0.412 . . . . 75.340000000000003 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.13 99.07 1.84 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 110.054 -1.219 . . . . 75.239999999999995 110.054 -170.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -114.86 -168.23 1.35 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 117.169 0.484 . . . . 73.219999999999999 111.542 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -81.47 90.71 6.23 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.011 0.925 . . . . 73.329999999999998 111.145 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.099999999999994 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.415 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 74.209999999999994 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.5 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 73.439999999999998 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.239999999999995 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.426 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 70.230000000000004 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 72.319999999999993 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 62.240000000000002 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.458 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.430000000000007 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 70.430000000000007 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.239999999999995 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.426 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.439999999999998 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.530000000000001 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 73.540000000000006 110.091 177.291 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.592 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.549999999999997 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.429 HD12 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 74.230000000000004 111.421 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.349999999999994 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.478 HG21 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.040000000000006 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.230000000000004 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.420000000000002 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.430000000000007 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.319999999999993 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.508 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 71.25 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.340000000000003 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.5 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.420000000000002 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.52 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.120000000000005 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.510000000000005 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.399999999999999 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.109999999999999 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.310000000000002 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.030000000000001 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.140000000000001 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 74.319999999999993 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.400000000000006 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.140000000000001 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.519999999999996 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 74.540000000000006 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.439999999999998 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.540000000000006 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.329999999999998 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.149999999999999 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.499 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.030000000000001 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.505 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 75.340000000000003 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.409 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD11 HD12 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 52.200000000000003 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 71.420000000000002 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.505 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.329999999999998 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.409 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 74.519999999999996 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.450000000000003 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 73.109999999999999 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.546 ' HA ' HD11 ' A' ' 76' ' ' LEU . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.209999999999994 109.954 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.514 ' HG3' HD12 ' A' ' 76' ' ' LEU . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.340000000000003 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.120000000000005 109.261 173.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.449 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 74.310000000000002 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 75.430000000000007 108.349 178.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.140000000000001 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 74.329999999999998 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.329999999999998 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.010000000000005 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.310000000000002 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.120000000000005 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 72.239999999999995 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.52 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.510000000000005 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.449 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.310000000000002 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 74.439999999999998 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.592 HD13 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.019999999999996 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.512 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 75.530000000000001 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' HA2' HG21 ' A' ' 23' ' ' ILE . . . -53.77 -43.97 69.96 Favored Glycine 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 72.329999999999998 113.158 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.6 p -97.22 76.59 2.63 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.315 -0.995 . . . . 73.439999999999998 108.315 168.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.546 HD11 ' HA ' ' A' ' 57' ' ' VAL . 4.9 tt -67.99 -58.88 3.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.181 -1.044 . . . . 75.319999999999993 108.181 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -94.78 103.34 15.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.366 -0.834 . . . . 74.209999999999994 110.245 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -92.06 55.97 2.75 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 107.701 -1.222 . . . . 65.340000000000003 107.701 166.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.1 t60 28.52 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.385 2.274 . . . . 75.230000000000004 113.661 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -124.21 81.08 1.89 Allowed 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.46 -0.941 . . . . 65.400000000000006 108.46 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -83.97 175.28 9.67 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.279 -0.873 . . . . 65.040000000000006 109.617 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -72.44 111.85 7.99 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.891 -0.595 . . . . 73.230000000000004 109.442 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.734 -0.839 . . . . 72.439999999999998 108.734 -176.687 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.38 -0.6 . . . . 74.230000000000004 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.28 -133.69 3.1 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.473 -1.051 . . . . 74.129999999999995 110.473 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -164.99 129.72 2.53 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.122 0.569 . . . . 73.239999999999995 109.781 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -89.6 63.31 6.21 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.219999999999999 108.335 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 74.310000000000002 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 61.140000000000001 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.518 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.430000000000007 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.435 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.040000000000006 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 75.230000000000004 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.129999999999995 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . 0.475 HD22 ' HB2' ' A' ' 13' ' ' GLU . 7.6 t30 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 72.349999999999994 108.029 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.508 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.209999999999994 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.475 ' HB2' HD22 ' A' ' 11' ' ' ASN . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 72.239999999999995 111.076 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.409999999999997 110.776 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 74.400000000000006 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 48' ' ' MET . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.120000000000005 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.329999999999998 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 74.140000000000001 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.415 ' HB3' HD12 ' A' ' 72' ' ' LEU . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 71.120000000000005 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 72.239999999999995 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 74.209999999999994 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 70.230000000000004 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.530000000000001 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.230000000000004 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 64.310000000000002 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.25 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.430000000000007 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 75.530000000000001 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 72.329999999999998 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.518 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.319999999999993 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.567 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.420000000000002 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.420000000000002 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.150000000000006 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.409999999999997 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 71.230000000000004 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.403 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 74.420000000000002 112.974 179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.437 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 72.150000000000006 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.540000000000006 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.477 HG22 HD21 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 72.439999999999998 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 75.109999999999999 111.837 -176.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.437 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.209999999999994 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.129999999999995 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.450000000000003 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 71.230000000000004 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.538 ' HE3' HD22 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 75.129999999999995 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.450000000000003 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.616 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 72.140000000000001 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 75.140000000000001 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.44 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 74.150000000000006 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.616 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 74.010000000000005 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 74.230000000000004 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 75.450000000000003 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.520000000000003 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG23 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 63.25 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.603 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 71.540000000000006 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.44 HG22 ' HB1' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 72.349999999999994 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.48 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.040000000000006 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.450000000000003 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . 0.428 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 74.439999999999998 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.439999999999998 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.530000000000001 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.040000000000006 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.540000000000006 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.450000000000003 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.477 HD21 HG22 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 72.439999999999998 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.567 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 74.25 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.48 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.329999999999998 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 74.239999999999995 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.415 HD12 ' HB3' ' A' ' 19' ' ' ALA . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.349999999999994 107.836 179.864 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.615 ' HG3' HD21 ' A' ' 76' ' ' LEU . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 72.129999999999995 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.29 -46.02 2.45 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.019999999999996 112.095 -171.342 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -110.86 113.99 26.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.179 0.591 . . . . 74.319999999999993 109.562 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.615 HD21 ' HG3' ' A' ' 73' ' ' LYS . 3.0 mm? -125.72 168.01 14.37 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.229 1.012 . . . . 74.049999999999997 110.471 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.38 62.77 3.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.234 -1.395 . . . . 74.510000000000005 107.234 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -73.04 88.44 1.4 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.486 -0.931 . . . . 74.109999999999999 108.486 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -56.27 90.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.139 1.376 . . . . 74.120000000000005 114.281 -162.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.24 147.87 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.088 1.755 . . . . 74.340000000000003 107.485 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.05 95.51 0.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.144 -0.687 . . . . 74.510000000000005 109.144 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -141.83 120.41 12.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.327 1.051 . . . . 73.329999999999998 109.254 -170.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.773 -0.825 . . . . 75.400000000000006 108.773 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.701 -0.481 . . . . 73.450000000000003 109.701 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.07 108.85 2.33 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 115.802 -0.635 . . . . 74.200000000000003 112.046 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -152.18 149.45 28.76 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.591 0.757 . . . . 64.400000000000006 110.248 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m -137.16 91.9 2.66 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.430000000000007 107.697 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.099999999999994 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.310000000000002 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.405 ' HB ' HG13 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 73.310000000000002 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 73.450000000000003 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.420000000000002 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.239999999999995 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.524 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 72.109999999999999 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 72.140000000000001 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.120000000000005 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 74.140000000000001 110.127 175.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 71.329999999999998 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.010000000000005 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 71.510000000000005 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB2' HD11 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 75.140000000000001 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.420000000000002 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.510000000000005 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 74.430000000000007 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 70.239999999999995 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 73.109999999999999 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.109999999999999 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.230000000000004 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.439999999999998 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 74.25 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 74.299999999999997 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.329999999999998 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG21 ' HE1' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 71.400000000000006 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.525 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 74.140000000000001 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.349999999999994 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.445 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.439999999999998 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.049999999999997 110.468 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.140000000000001 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.409999999999997 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 72.540000000000006 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.439999999999998 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 73.019999999999996 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.571 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 73.049999999999997 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.524 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.540000000000006 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 75.329999999999998 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 73.239999999999995 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.571 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.519999999999996 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.459 ' HB3' HD23 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.129999999999995 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.488 ' HE1' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.329999999999998 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 73.549999999999997 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 75.430000000000007 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.439999999999998 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB1' HG22 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 72.140000000000001 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.513 ' HZ2' ' HB3' ' A' ' 54' ' ' LYS . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.329999999999998 112.825 -175.25 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.439999999999998 111.845 -178.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 54.310000000000002 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.109999999999999 110.403 175.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 51.450000000000003 108.415 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.516 HD12 HD12 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.400000000000006 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . 0.4 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 75.510000000000005 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.310000000000002 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 73.049999999999997 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.430000000000007 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.230000000000004 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 73.400000000000006 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 36' ' ' THR . 5.4 t30 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.510000000000005 112.08 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.445 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.430000000000007 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 63.340000000000003 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.525 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 73.430000000000007 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.516 HD12 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 74.040000000000006 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.4 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.519999999999996 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD11 ' HB2' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 74.230000000000004 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.401 ' H ' ' HG2' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.420000000000002 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.4 -2.19 73.17 Favored Glycine 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.030000000000001 113.476 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 p -154.6 132.29 11.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.424 1.09 . . . . 72.129999999999995 109.063 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -110.45 168.19 9.64 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.749 0.785 . . . . 74.310000000000002 111.321 178.383 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -85.5 177.23 7.83 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.745 -1.116 . . . . 71.400000000000006 108.397 166.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -59.48 125.72 24.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.552 -0.536 . . . . 73.0 109.552 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -144.6 156.57 44.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.964 0.506 . . . . 74.109999999999999 110.34 -173.548 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -72.89 141.87 47.9 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.793 -0.639 . . . . 73.109999999999999 110.333 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.38 -89.51 0.09 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.568 0.347 . . . . 74.319999999999993 110.173 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -105.39 -30.33 9.66 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.786 0.834 . . . . 74.010000000000005 110.455 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.662 -0.866 . . . . 74.150000000000006 108.662 175.159 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.043 0.449 . . . . 75.329999999999998 110.683 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.57 -54.17 0.28 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.354 -1.099 . . . . 74.310000000000002 110.354 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.5 mp 57.55 25.49 11.62 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.707 1.203 . . . . 72.420000000000002 111.766 179.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -87.46 72.88 9.63 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.274 -0.875 . . . . 73.019999999999996 109.316 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.430000000000007 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.310000000000002 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.507 ' HB ' HG11 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.430000000000007 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.458 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 64.219999999999999 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.310000000000002 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 72.409999999999997 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.200000000000003 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.455 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.430000000000007 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.200000000000003 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 74.140000000000001 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.219999999999999 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD23 ' HE3' ' A' ' 48' ' ' MET . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 73.549999999999997 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 71.25 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.424 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 72.150000000000006 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.474 ' HA ' HD22 ' A' ' 29' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.409999999999997 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.310000000000002 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.209999999999994 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 74.230000000000004 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.508 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 72.25 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 61.43 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 73.340000000000003 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.200000000000003 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 71.349999999999994 108.903 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.530000000000001 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.474 HD22 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 72.340000000000003 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 74.200000000000003 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.507 HG11 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.240000000000002 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.536 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.430000000000007 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 73.439999999999998 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.494 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.439999999999998 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 71.129999999999995 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 74.450000000000003 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.439999999999998 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.450000000000003 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.421 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.200000000000003 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 74.049999999999997 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.46 HD11 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 74.409999999999997 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.430000000000007 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.421 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.409999999999997 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 70.030000000000001 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.340000000000003 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.401 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.049999999999997 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.401 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 74.340000000000003 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.462 ' HE3' HD23 ' A' ' 16' ' ' LEU . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.340000000000003 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 64.420000000000002 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 74.150000000000006 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.400000000000006 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.209999999999994 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.129999999999995 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 73.019999999999996 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.508 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 72.109999999999999 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.319999999999993 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 64.340000000000003 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.507 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.120000000000005 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.457 HD11 ' HZ2' ' A' ' 61' ' ' LYS . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 71.5 110.174 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 75.420000000000002 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.457 ' HZ2' HD11 ' A' ' 59' ' ' ILE . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.299999999999997 108.69 172.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.310000000000002 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.46 ' HH2' HD11 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.430000000000007 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.010000000000005 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 70.420000000000002 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.239999999999995 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.494 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.129999999999995 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.536 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 74.329999999999998 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 75.040000000000006 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.421 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.129999999999995 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.425 HD13 ' HB2' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.409999999999997 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.507 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.340000000000003 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.42 -47.48 62.86 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.349999999999994 114.634 -169.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' HB2' ' HB3' ' A' ' 78' ' ' HIS . 67.1 p -175.16 146.93 0.88 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.372 1.069 . . . . 75.450000000000003 109.832 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.69 -71.57 0.74 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.473 0.654 . . . . 62.140000000000001 109.511 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -18.33 39.0 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.592 1.557 . . . . 72.450000000000003 113.093 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' HB3' ' HB2' ' A' ' 75' ' ' SER . 44.9 t-80 -80.82 35.24 0.36 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.964 0.906 . . . . 74.400000000000006 112.022 -177.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -132.44 122.54 25.1 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.319 -0.993 . . . . 74.549999999999997 108.319 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -71.37 82.89 0.78 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.853 0.861 . . . . 73.230000000000004 109.596 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -67.06 86.56 0.14 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.357 1.063 . . . . 73.310000000000002 111.595 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -146.23 169.92 17.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.667 -1.151 . . . . 74.140000000000001 109.572 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.75 -0.833 . . . . 73.349999999999994 108.75 175.321 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.497 -0.186 . . . . 74.319999999999993 110.497 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.83 35.51 3.51 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 113.953 0.341 . . . . 55.229999999999997 113.953 -175.307 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -109.63 103.25 12.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.013 0.925 . . . . 75.239999999999995 108.827 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.416 HG21 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m -73.05 88.37 1.41 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.51 1.124 . . . . 75.150000000000006 109.816 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.439999999999998 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.48 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.140000000000001 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.42 ' HB ' HG11 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.319999999999993 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 74.230000000000004 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.200000000000003 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 75.200000000000003 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 74.120000000000005 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 71.409999999999997 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.439999999999998 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.120000000000005 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.439999999999998 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.403 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.319999999999993 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.140000000000001 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 75.310000000000002 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.468 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 75.349999999999994 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 73.219999999999999 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.525 ' HZ3' ' HB2' ' A' ' 21' ' ' LYS . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 71.109999999999999 110.761 172.603 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 73.329999999999998 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.468 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 74.450000000000003 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.140000000000001 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.219999999999999 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.230000000000004 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.209999999999994 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 74.310000000000002 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.48 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 75.329999999999998 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.498 HG22 ' HE2' ' A' ' 48' ' ' MET . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.555 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.530000000000001 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 71.430000000000007 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.340000000000003 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.420000000000002 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 70.230000000000004 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.329999999999998 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 72.299999999999997 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 75.010000000000005 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.230000000000004 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.407 HG23 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.530000000000001 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.409 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 73.140000000000001 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 74.329999999999998 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 75.209999999999994 111.029 -177.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.402 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.349999999999994 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . 0.409 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 74.510000000000005 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.439999999999998 112.708 175.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.498 ' HE2' HG22 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 74.230000000000004 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 75.409999999999997 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.329999999999998 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 75.299999999999997 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.420000000000002 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 75.510000000000005 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 73.439999999999998 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 73.030000000000001 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 73.129999999999995 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 74.430000000000007 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.310000000000002 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 75.019999999999996 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 74.530000000000001 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 73.239999999999995 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.439999999999998 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . 0.407 ' CH2' HG23 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.409999999999997 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.400000000000006 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.219999999999999 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 75.219999999999999 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.239999999999995 109.152 177.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.555 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.310000000000002 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 75.030000000000001 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 72.340000000000003 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.040000000000006 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD3' HD22 ' A' ' 76' ' ' LEU . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.43 ' HA2' HG22 ' A' ' 23' ' ' ILE . . . -74.74 -25.71 69.05 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 74.510000000000005 112.056 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 p -163.7 165.57 23.08 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.448 1.099 . . . . 63.43 110.623 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.666 HD11 ' HE2' ' A' ' 79' ' ' HIS . 36.8 mt -135.99 166.15 24.02 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.961 1.705 . . . . 75.519999999999996 107.498 170.303 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.91 144.77 47.23 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 107.999 -1.112 . . . . 74.010000000000005 107.999 167.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -61.31 106.0 0.57 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.965 0.506 . . . . 73.549999999999997 110.31 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . 0.666 ' HE2' HD11 ' A' ' 76' ' ' LEU . 68.9 m-70 -57.66 115.1 2.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.432 1.093 . . . . 73.530000000000001 111.398 -176.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -73.74 79.59 1.56 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.794 0.807 . . . . 65.299999999999997 109.918 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -152.62 131.07 12.15 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.877 1.671 . . . . 74.010000000000005 107.479 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.01 80.7 4.43 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.63 -0.508 . . . . 73.450000000000003 109.63 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.559 1.289 0 C-N-CA 123.494 0.718 . . . . 63.200000000000003 110.314 -177.047 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.3 -0.629 . . . . 74.340000000000003 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.569 ' HA3' HD23 ' A' ' 27' ' ' LEU . . . -85.35 79.38 1.9 Allowed Glycine 0 C--N 1.35 1.34 0 N-CA-C 111.01 -0.836 . . . . 72.540000000000006 111.01 177.049 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.82 139.02 57.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.847 0.859 . . . . 75.420000000000002 111.805 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -79.92 70.3 6.45 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.143 -0.935 . . . . 71.019999999999996 108.632 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.540000000000006 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.340000000000003 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.442 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 73.439999999999998 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 71.010000000000005 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 63.439999999999998 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.415 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.520000000000003 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 73.329999999999998 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.554 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 73.239999999999995 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.209999999999994 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.240000000000002 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.559 HD23 ' HE2' ' A' ' 48' ' ' MET . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.439999999999998 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 63.119999999999997 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 74.299999999999997 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . 0.511 ' HB1' ' HE3' ' A' ' 48' ' ' MET . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 70.239999999999995 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.040000000000006 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.120000000000005 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 73.409999999999997 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . 0.504 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.340000000000003 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.329999999999998 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.439999999999998 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 70.450000000000003 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.569 HD23 ' HA3' ' A' ' 2' ' ' GLY . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 75.530000000000001 109.69 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.239999999999995 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.429 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 74.049999999999997 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 71.329999999999998 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . 0.508 HG22 ' HE1' ' A' ' 48' ' ' MET . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 72.239999999999995 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.533 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.430000000000007 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.409999999999997 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.415 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.340000000000003 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.310000000000002 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 62.109999999999999 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 73.329999999999998 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.429 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.210000000000001 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.400000000000006 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.099999999999994 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ILE . . . . . 0.488 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.200000000000003 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 73.409999999999997 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.340000000000003 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.420000000000002 109.326 175.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.488 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 75.409999999999997 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 74.420000000000002 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 72.140000000000001 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' MET . . . . . 0.559 ' HE2' HD23 ' A' ' 16' ' ' LEU . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.209999999999994 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.510000000000005 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.140000000000001 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.43 ' HB1' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.209999999999994 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 73.129999999999995 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.319999999999993 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.329999999999998 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.120000000000005 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 73.140000000000001 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLN . . . . . 0.611 ' HG2' HD13 ' A' ' 76' ' ' LEU . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.409999999999997 110.795 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.43 HG23 ' HB1' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.400000000000006 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 74.340000000000003 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.340000000000003 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 70.310000000000002 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.530000000000001 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.409999999999997 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 74.030000000000001 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 74.25 110.106 -176.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . 0.533 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 72.150000000000006 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 72.420000000000002 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.329999999999998 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 75.200000000000003 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 74.239999999999995 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 -25.21 50.47 Favored Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.209999999999994 111.753 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -161.24 179.76 8.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.99 0.916 . . . . 70.219999999999999 109.79 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LEU . . . . . 0.611 HD13 ' HG2' ' A' ' 58' ' ' GLN . 12.4 mt -124.88 -174.17 2.97 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.061 1.345 . . . . 74.540000000000006 109.61 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.3 -42.43 93.08 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.002 -1.11 . . . . 73.340000000000003 108.002 167.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -160.68 143.86 13.27 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 112.923 -1.944 . . . . 73.109999999999999 106.282 172.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -62.56 107.34 0.92 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.505 -0.554 . . . . 75.540000000000006 109.505 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -68.16 79.2 0.24 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.043 1.337 . . . . 64.219999999999999 111.608 -168.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 170.31 0.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.95 2.1 . . . . 63.399999999999999 110.803 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -83.43 74.33 10.09 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.989 0.915 . . . . 73.040000000000006 110.837 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 106.743 -1.577 . . . . 65.049999999999997 106.743 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 65.15 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.2 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.21 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG12 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 61.42 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.33 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.11 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 64.51 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 70.25 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.53 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.12 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 70.43 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.02 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.14 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 51.23 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 62.03 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.04 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.01 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 53.12 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 73.2 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.53 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 32.12 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 71.21 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 73.41 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 53.41 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 73.32 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 64.41 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.13 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 71.24 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.0 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 61.34 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 71.42 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 71.44 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 74.13 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.21 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.45 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 63.54 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 55.34 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.12 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.42 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 73.24 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.31 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 51.51 111.0 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 53.33 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 64.24 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 62.4 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.23 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 60.23 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 64.43 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.33 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 54.42 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.01 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.33 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 72.13 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.31 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.43 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.12 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.42 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 73.41 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 51.42 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.21 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 61.23 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 41.12 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 53.41 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 63.41 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.01 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.03 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 54.33 112.983 178.41 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 71.1 108.935 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.23 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.1 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.51 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.42 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 55.34 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.13 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 64.43 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.32 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.44 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.22 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 72.4 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 54.34 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 64.14 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 64.05 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 71.0 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 54.42 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 63.02 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.55 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 73.43 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.51 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 60.11 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 70.22 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 64.23 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 54.1 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.24 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.35 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.12 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.12 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.13 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.01 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.13 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.11 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.1 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.03 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 61.34 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.615 HG23 HD22 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 41.03 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.12 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.44 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.21 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 72.52 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 60.14 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' CE1' ' A' ' 44' ' ' PHE . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 74.41 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.34 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.34 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 52.31 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 71.42 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 71.14 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.15 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.04 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.52 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 64.52 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 70.22 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 54.32 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.01 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 61.41 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.14 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.33 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.52 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.01 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.11 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.43 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD22 HG23 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.11 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.45 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.42 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.34 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 65.1 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 65.01 109.258 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.33 110.847 177.494 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.51 107.759 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.42 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.22 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HB ' HG12 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.1 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.52 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.42 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 72.3 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 74.15 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 63.43 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 74.15 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 73.21 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 47' ' ' ASP . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 71.41 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.04 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.13 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 42.43 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 74.43 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 74.43 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.43 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG21 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 72.45 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.31 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 63.22 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 51.31 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.41 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.11 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.04 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 62.31 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 54.34 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.02 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.22 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.33 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.42 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 65.44 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.2 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.13 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 63.24 110.371 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.3 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.4 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.21 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.32 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.34 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 62.12 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 72.24 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 71.1 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.22 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.03 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 70.55 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 74.52 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 71.31 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.22 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.42 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.558 ' HB ' HG21 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.23 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.04 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' OG1' ' A' ' 55' ' ' THR . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 62.01 110.709 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.31 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 63.01 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.22 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.43 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.22 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.33 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.21 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.24 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 52.14 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 65.42 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.599 HD22 HG23 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 63.5 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 74.3 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.22 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.44 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' HB1' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.54 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 62.42 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 70.11 111.115 -176.544 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.456 0.646 . . . . 72.31 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.13 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.2 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 5' ' ' ARG . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.34 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.42 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 45.13 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.12 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 55.42 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.12 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.21 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.11 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.31 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 47' ' ' ASP . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 53.45 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 62.41 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 74.21 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.34 110.378 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.33 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.41 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 71.01 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 19' ' ' ALA . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.31 110.125 -174.105 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.44 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.41 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 55.52 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.54 109.708 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.23 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.45 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 72.31 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 72.25 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.33 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.45 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.33 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.11 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 61.22 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.14 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.35 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.12 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 62.21 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.25 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.22 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.45 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.33 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 65.24 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 71.23 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.24 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.32 111.613 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 70.23 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 74.11 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.44 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 61.15 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 64.31 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 72.04 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 61.02 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 65.14 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 65.33 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.12 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.51 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.32 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.32 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.12 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.34 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 52.45 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.44 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 70.52 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 63.14 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.24 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.54 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 72.31 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 70.31 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.24 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.11 112.269 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.829 0.823 . . . . 65.43 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.45 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 74.34 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 71.41 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.51 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.01 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 74.5 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 63.23 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.14 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 52.53 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.3 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.42 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.41 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 62.32 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.34 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 72.22 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.51 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 71.41 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.32 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 53.52 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.45 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 73.41 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 72.41 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.13 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.11 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 74.31 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.31 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.35 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.43 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.32 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.22 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 64.23 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 64.52 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.33 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 62.52 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.21 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 60.02 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HD2' HD23 ' A' ' 68' ' ' LEU . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.31 110.346 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 42.24 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.42 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.43 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 71.42 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.44 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 64.33 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.44 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 71.04 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.32 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.04 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 61.23 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.34 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 70.41 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.43 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.24 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.15 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 62.35 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 54.52 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.45 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.14 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.11 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.04 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 61.04 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 ' HD2' ' A' ' 44' ' ' PHE . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 34.22 110.914 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.32 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.23 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 65.04 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 61.21 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 72.44 111.273 -170.701 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 42.32 113.193 174.115 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 120.625 0.25 . . . . 74.42 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.14 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 53.23 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.2 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.41 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.4 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.15 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.32 109.875 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 73.21 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.14 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.41 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 71.53 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 73.4 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 61.04 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 62.11 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.43 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.12 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 55.14 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 70.31 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.33 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.24 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.34 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 61.1 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.23 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.12 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 72.11 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.15 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.41 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.44 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.53 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.41 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.14 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 60.42 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.42 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 63.34 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.31 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 63.51 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.43 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.22 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 71.12 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.42 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 61.25 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.12 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.1 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 54.31 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.3 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.31 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.21 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 64.42 110.27 178.441 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.22 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 63.12 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.24 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.4 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.04 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 70.25 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.3 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 72.54 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 61.34 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.34 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.45 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.51 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.44 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.22 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 44.12 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.12 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.42 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.31 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.21 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.31 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.13 112.453 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 62.3 108.6 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.51 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.14 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.01 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 35.41 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 71.42 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.51 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.3 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.35 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.45 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 51.31 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.15 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 63.33 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 41.21 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 61.33 109.934 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 64.32 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 53.54 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 63.13 110.098 172.364 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.24 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 63.13 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.11 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 73.52 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 43.51 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 63.21 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.12 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 73.4 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 61.03 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.2 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.01 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.22 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.13 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 72.32 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 65.02 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.03 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 71.4 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 70.14 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.33 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.14 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 64.53 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 60.12 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 65.15 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.3 111.609 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.33 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.32 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 50.53 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 54.24 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 73.22 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.44 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.22 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 43.3 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.14 109.023 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.15 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' HG23 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 63.13 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.22 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 62.1 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 71.45 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.454 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.13 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.1 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.22 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 61.01 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 64.32 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.13 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 60.23 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.54 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 71.01 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB3' HD11 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.11 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 73.11 110.288 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 53.31 111.496 172.423 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 109.463 -0.569 . . . . 73.25 109.463 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.2 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 71.54 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 64.12 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.14 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.2 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.15 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 53.45 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 72.41 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.22 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.24 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 41.0 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 52.41 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.3 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.21 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.14 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 72.23 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 74.42 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 73.35 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.31 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 44.4 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.2 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.51 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.3 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 64.32 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.43 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.44 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 52.15 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.31 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.44 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.21 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.21 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 64.54 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 71.22 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.34 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.32 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.23 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 63.23 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.31 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 65.14 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 62.13 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 71.32 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 64.44 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.53 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.12 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.32 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 72.33 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.31 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 51.51 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 73.32 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 64.24 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 65.13 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 53.13 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.23 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.11 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 71.34 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.2 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.53 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.31 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 65.21 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.2 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.53 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 73.45 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.0 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 51.31 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.5 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 64.41 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.31 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.15 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.12 113.27 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 30' ' ' GLU . 10.2 m . . . . . 0 CA--C 1.553 1.089 0 CA-C-O 121.135 0.493 . . . . 75.22 110.773 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 71.0 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 43.11 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.1 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 73.13 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 23.21 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.44 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.35 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 71.4 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 62.23 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 61.04 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.34 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 42.41 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.24 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 63.41 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.45 110.374 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.04 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.13 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.24 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.44 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.35 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.35 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 73.1 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 52.44 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.23 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 55.4 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.53 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 73.21 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.591 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.23 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 73.41 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.53 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.03 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.13 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 71.4 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.44 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 71.32 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 72.4 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.42 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.14 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 73.15 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 72.34 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.12 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.24 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.14 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE3' HG21 ' A' ' 31' ' ' VAL . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 62.0 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.1 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 54.31 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 63.22 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.32 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 64.52 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.43 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 73.42 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 44.13 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 52' ' ' ALA . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 65.35 109.173 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.14 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 53.01 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.607 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 61.51 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 71.24 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.3 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 71.14 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 25.21 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.15 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 73.24 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 40.13 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 64.35 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 61.34 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.33 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.51 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.42 113.498 -178.306 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.21 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 70.42 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 61.41 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.586 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 64.32 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 50.31 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.51 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.32 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.43 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.21 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.31 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 64.31 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 73.14 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.32 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 72.53 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 63.34 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 44.13 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 61.44 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 45.21 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 74.22 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 61.4 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.51 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 65.11 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.02 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 52.14 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.12 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 73.11 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.33 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.14 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.13 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.21 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.32 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.13 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 50.23 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.31 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.44 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 73.41 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.52 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 54.22 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.3 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.12 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 68' ' ' LEU . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.2 111.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.2 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.34 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.31 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 65.32 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.32 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 61.34 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 61.21 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 55.03 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 63.13 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.21 112.366 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.4 ' OG1' HG22 ' A' ' 57' ' ' VAL . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 65.34 111.273 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.13 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' OG1' ' A' ' 55' ' ' THR . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.33 110.737 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.31 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 73.15 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.1 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 51.23 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.13 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 71.24 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.35 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.43 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' HB3' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 73.14 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 72.43 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 44' ' ' PHE . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.23 108.92 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.11 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.45 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 60.43 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 71.35 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.21 110.029 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 44.51 109.286 173.304 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.953 -0.758 . . . . 63.2 108.953 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 72.24 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.13 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.24 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.23 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 51.51 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.32 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 65.15 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 61.04 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 63.54 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 52.13 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 51.14 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 64.34 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 55.42 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.21 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 72.31 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 64.15 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 71.42 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 45.33 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.02 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 61.34 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 71.32 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.03 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.22 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 73.14 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.23 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 73.51 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 35.32 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 71.43 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.31 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 70.14 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 65.12 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 55.03 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 64.52 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 65.43 111.071 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 70.15 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.41 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 72.21 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' HD2' HD23 ' A' ' 68' ' ' LEU . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.02 109.991 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 72.03 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.03 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' HD21 ' A' ' 16' ' ' LEU . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.23 113.627 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 74.13 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.04 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.35 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 61.22 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.24 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 60.52 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.43 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.55 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.34 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 72.24 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 71.42 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 61.32 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.33 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.32 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.13 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 61.32 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 61.24 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 43.15 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.44 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.24 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 44' ' ' PHE . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.33 110.616 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 74.12 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 51.22 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 65.22 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.44 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.51 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.01 111.564 171.961 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 74.12 109.79 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.32 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 54.3 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.426 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 73.52 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 54.31 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.55 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 65.23 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.12 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 34.35 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.04 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.53 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.23 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 48' ' ' MET . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.24 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 71.31 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 54.13 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 72.53 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.03 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.43 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 63.14 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.02 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.32 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 72.34 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.33 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.23 110.679 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.32 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD21 HD12 ' A' ' 7' ' ' ILE . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.03 109.0 -171.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.12 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 62.13 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 71.42 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.42 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.31 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 65.44 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 71.14 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.41 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 63.13 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 71.3 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.24 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.423 HG21 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.22 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.03 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.44 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 72.3 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.31 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 33.33 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.24 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.561 ' HG3' HD12 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 65.35 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.43 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.43 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 71.14 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 70.1 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.14 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 72.44 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.35 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.42 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 65.12 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 64.21 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 63.33 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 63.12 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 53.44 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 71.54 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.423 ' HH2' HG21 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.24 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.43 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 32.24 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 71.33 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 64.11 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.31 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.32 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD12 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.43 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.55 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 52.54 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 61.41 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 53.55 111.912 -169.407 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 120.778 0.323 . . . . 72.33 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 64.13 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 72.3 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' HB ' HG12 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.4 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 64.44 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.02 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 72.12 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.24 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 65.15 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.35 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 71.21 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 60.33 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 70.41 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.01 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 72.1 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.54 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.54 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 54.54 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.53 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 63.04 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 64.44 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.55 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 62.55 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.11 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 72.31 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 70.21 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.31 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' HB ' ' A' ' 7' ' ' ILE . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 70.13 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.53 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.43 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 62.04 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.04 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 66' ' ' ASN . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 71.02 110.471 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 65.05 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.24 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 72.25 110.056 -176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.53 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 61.31 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.21 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.14 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 68' ' ' LEU . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.13 109.72 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.44 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 62.0 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.45 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.03 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.13 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 51.23 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 74.01 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 64.4 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 71.44 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.21 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 73.42 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 43.41 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.31 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.11 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 52.53 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 64.04 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.55 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.54 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.35 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 72.35 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 55.24 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 36' ' ' THR . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 62.14 109.0 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.12 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 44' ' ' PHE . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 71.24 111.031 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.34 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.14 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 74.25 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.794 HD11 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 63.34 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.43 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 55.23 114.932 -176.955 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 70.1 108.887 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 62.44 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.35 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 64.54 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.42 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 61.42 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.51 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 72.33 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 51.13 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.24 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.4 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 61.42 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 65.35 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.22 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.34 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.22 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 61.15 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 65.31 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.52 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.24 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 52.15 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 64.32 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 71.55 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 62.44 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.13 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 65.43 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.22 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.21 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.13 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.15 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.34 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.14 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 53.34 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 72.33 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.42 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 73.0 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.03 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.54 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.2 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 71.15 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.31 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 64.34 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 63.05 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.32 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.02 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.33 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.14 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 70.04 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.14 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 65.22 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 61.23 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 71.14 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.22 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.42 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.24 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.12 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 71.14 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.54 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 70.51 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.32 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.15 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 65.23 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.2 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 65.44 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 62.51 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.31 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.33 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.42 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.31 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.35 114.399 -163.492 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.553 1.068 0 CA-C-O 120.478 0.18 . . . . 73.33 111.145 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.1 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 71.3 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 64.35 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.24 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' SER . . . . . 0.449 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 65.31 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 63.55 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 50.41 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.22 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 64.54 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.24 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.44 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.41 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.091 177.291 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.55 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 71.35 111.421 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.35 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.499 HG23 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.04 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.23 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.42 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.43 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.32 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 70.11 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.34 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.42 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.12 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.51 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.4 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.11 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.05 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.03 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.14 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 73.24 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.4 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.14 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.52 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 51.54 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.44 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.54 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.33 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.15 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.03 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 74.51 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.14 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 44.22 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 61.42 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.3 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 73.11 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.21 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 64.32 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.21 109.954 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.34 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.501 HD12 ' HZ3' ' A' ' 61' ' ' LYS . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.12 109.261 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 73.31 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HZ3' HD12 ' A' ' 59' ' ' ILE . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 74.34 108.349 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.14 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 71.34 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.33 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.01 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.31 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.12 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 64.11 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.51 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.13 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 71.41 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.637 HD12 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.02 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 72.44 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 65.2 113.158 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.22 108.335 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 65.12 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 43.34 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.35 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.04 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 74.11 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.13 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 44.21 108.029 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.21 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 63.11 111.076 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.41 110.776 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 72.32 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.12 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.33 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 62.03 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 33.12 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 64.44 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 73.12 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 62.42 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.53 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.23 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 62.12 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.03 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.43 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 62.53 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 70.31 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.32 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.42 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.42 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.15 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.41 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 52.13 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 72.24 112.974 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 61.31 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.54 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 71.24 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 74.1 111.837 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.21 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 68' ' ' LEU . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.13 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.43 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 63.32 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 72.23 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.45 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.609 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 53.05 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 32.12 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 52.35 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 55.51 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 73.43 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 74.3 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.52 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 53.5 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.622 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 61.32 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 63.55 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.04 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.45 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 52.34 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.44 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.53 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.04 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.32 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.33 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 71.41 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 65.31 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.33 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 73.13 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.35 107.836 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 63.22 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.02 112.095 -171.342 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.43 107.697 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.1 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.31 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' HB ' HG12 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 63.2 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 60.33 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.42 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.24 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 65.54 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 63.34 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.12 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 71.15 110.127 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 63.12 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.01 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 55.41 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 62.31 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.42 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.44 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 71.11 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 51.52 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 63.01 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.11 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.23 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.44 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 73.35 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 63.12 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.33 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG21 ' HE3' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 51.42 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 72.35 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.35 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.44 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.21 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.05 110.468 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.14 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.41 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 71.32 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.44 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 63.5 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 63.11 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.54 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 73.41 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 72.14 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.52 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HB3' HD21 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.13 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE3' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.33 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 60.21 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 72.12 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.44 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 71.43 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.33 112.825 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' OG1' HG22 ' A' ' 57' ' ' VAL . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.44 111.845 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 34.33 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 ' OG1' ' A' ' 55' ' ' THR . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.11 110.403 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 45.32 108.415 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 HD13 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.4 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 73.42 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.31 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 71.15 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.22 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.23 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 60.44 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.51 112.08 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.43 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 62.24 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 65.32 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 72.13 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.52 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 65.33 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.42 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.03 113.476 -175.571 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.316 -0.624 . . . . 51.35 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.43 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.31 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.512 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.43 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 63.11 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.31 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 64.43 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.2 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.43 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.2 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 64.4 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.22 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 72.44 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 63.54 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 55.14 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.41 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.31 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.21 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 71.2 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.512 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 62.45 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 43.1 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 54.11 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.2 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 55.25 108.903 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.53 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 71.05 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 41.55 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.24 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.43 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 44.12 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.518 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.44 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 64.13 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 64.22 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.44 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.45 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.2 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 72.41 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.507 HD13 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 62.41 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.43 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.22 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 63.12 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.34 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.05 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 73.04 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HE3' HG21 ' A' ' 31' ' ' VAL . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.34 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 53.11 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 72.13 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.4 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.21 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.13 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 71.11 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.512 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 61.25 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.32 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 54.24 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLN . . . . . 0.498 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.12 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 70.34 110.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 61.41 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.14 108.69 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.31 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.507 ' HH2' HD13 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.0 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.01 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 43.41 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.24 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.13 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 63.53 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 72.55 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.13 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.41 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.34 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.35 114.634 -169.079 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-O 121.539 0.685 . . . . 72.04 109.816 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.44 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.14 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.431 ' HB ' HG12 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.32 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 71.11 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.2 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 73.32 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 60.22 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 54.32 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.44 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.12 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.44 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.15 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.14 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 63.31 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 71.03 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 70.54 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 53.0 110.761 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 71.15 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 64.54 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.14 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.22 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.23 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.21 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 72.2 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 51.41 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.23 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.53 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 62.32 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.34 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.42 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 64.34 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.33 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 71.42 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 64.22 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.23 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.53 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 72.15 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 73.2 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.421 ' HD2' HD23 ' A' ' 68' ' ' LEU . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 63.12 111.029 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.35 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 73.43 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' A' ' 16' ' ' LEU . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.44 112.708 175.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.41 ' HE3' HG21 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 73.45 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 64.13 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.3 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 72.44 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.42 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 74.12 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 71.55 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 72.1 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 61.22 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 62.43 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.31 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 44.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 43.24 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 72.04 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.44 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.03 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.35 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.22 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 54.33 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 ' HD2' ' A' ' 44' ' ' PHE . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.24 109.152 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.31 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 73.32 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 61.01 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.04 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 71.32 112.056 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.24 0.575 0 CA-C-O 121.983 0.897 . . . . 71.02 108.632 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.54 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.34 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.45 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 71.23 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 63.12 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 62.12 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.52 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 52.44 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 72.23 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.21 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.24 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.41 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 60.33 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 73.13 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 43.33 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.04 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.12 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 71.14 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.34 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.33 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.44 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 44.31 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 63.12 109.69 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.24 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 64.03 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 61.11 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG12 ' HB ' ' A' ' 7' ' ' ILE . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 51.05 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.43 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.41 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.34 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.31 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 42.25 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 63.21 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.03 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.25 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.1 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.2 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 72.24 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.34 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 48' ' ' MET . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.42 109.326 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 64.22 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 73.25 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 64.35 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.21 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.51 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.14 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.12 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 53.33 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.32 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.33 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.12 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 71.4 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.41 110.795 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.23 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.4 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 73.24 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.34 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 63.15 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.53 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.03 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 61.24 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 44' ' ' PHE . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 72.12 110.106 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 60.53 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 64.43 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.21 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 70.44 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 53.41 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.21 111.753 -179.609 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.985 -0.376 . . . . 73.24 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.82 155.86 6.89 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.057 -0.817 . . . . 62.32 111.057 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.86 108.03 19.58 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.074 -1.084 . . . . 72.31 108.074 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m -68.93 81.4 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 65.15 109.68 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.2 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.21 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG12 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 61.42 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.33 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.11 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 64.51 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 70.25 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.53 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.12 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 70.43 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.02 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.14 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 51.23 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 62.03 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.04 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.01 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 53.12 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 73.2 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.53 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 32.12 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 71.21 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 73.41 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 53.41 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 73.32 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 64.41 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.13 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 71.24 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.0 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 61.34 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 71.42 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 71.44 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 74.13 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.21 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.45 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 63.54 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 55.34 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.12 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.42 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 73.24 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.31 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 51.51 111.0 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 53.33 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 64.24 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 62.4 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.23 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 60.23 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 64.43 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.33 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 54.42 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.01 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.33 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 72.13 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.31 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.43 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.12 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.42 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 73.41 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 51.42 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 4.5 t-20 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.21 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 61.23 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 41.12 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 53.41 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 63.41 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.01 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.03 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.11 76.37 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 54.33 112.983 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 p -106.37 87.55 2.57 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.756 -0.831 . . . . 70.11 108.756 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 77' ' ' GLU . 1.6 tt -71.51 -75.29 0.13 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.314 -0.995 . . . . 74.53 108.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -150.19 -106.06 0.07 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.634 0.774 . . . . 72.34 110.473 171.25 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -132.13 -10.77 3.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.442 0.905 . . . . 74.42 113.442 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -67.16 118.7 10.93 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.829 0.741 . . . . 61.51 110.376 -171.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.96 4.74 53.46 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.348 0.659 . . . . 53.41 110.492 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -59.73 127.82 33.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.772 -0.825 . . . . 61.25 108.772 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -40.22 -47.28 2.41 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.263 1.425 . . . . 72.41 112.419 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.556 1.181 0 N-CA-C 107.753 -1.203 . . . . 74.43 107.753 173.846 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 pmm? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.928 0.394 . . . . 72.33 110.205 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.68 66.85 3.68 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.877 -0.602 . . . . 72.14 113.069 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.32 122.54 29.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.594 0.758 . . . . 65.03 110.741 177.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m -82.56 70.87 9.61 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 71.1 108.935 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.23 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.1 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.51 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.42 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 55.34 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.13 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 64.43 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.32 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.44 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.22 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 72.4 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 54.34 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 64.14 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 64.05 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 71.0 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 54.42 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 63.02 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.55 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 73.43 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.51 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 60.11 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 70.22 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 64.23 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 54.1 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.24 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.35 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.12 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.12 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.13 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.01 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.13 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.11 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.1 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.03 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 61.34 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.615 HG23 HD22 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 41.03 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.12 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.44 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.44 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.21 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 72.52 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 60.14 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' CE1' ' A' ' 44' ' ' PHE . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 74.41 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.34 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.34 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 52.31 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 71.42 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 71.14 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.15 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.04 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.52 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 64.52 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 70.22 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 54.32 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.01 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 61.41 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.14 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.33 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.52 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.01 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.11 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.43 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD22 HG23 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.11 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.45 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.42 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.34 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 65.1 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 65.01 109.258 169.057 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.12 -30.75 13.34 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.33 110.847 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.3 m -122.46 117.69 26.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.999 0.92 . . . . 55.41 109.104 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 tt -84.03 126.32 32.94 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.31 -0.996 . . . . 74.32 108.31 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.1 125.44 23.63 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.99 1.316 . . . . 63.25 110.637 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -118.05 88.05 2.84 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.741 -0.6 . . . . 75.21 111.145 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -73.35 130.26 39.78 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.595 -1.261 . . . . 62.42 107.595 165.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.76 97.01 0.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.559 0.537 . . . . 65.31 110.733 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -148.97 96.07 2.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.186 0.994 . . . . 71.24 109.623 -175.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -149.96 112.9 4.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.83 0.852 . . . . 74.03 109.621 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 123.581 0.752 . . . . 62.3 109.045 175.962 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.352 -0.61 . . . . 65.3 109.352 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.57 103.5 1.35 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.836 -0.906 . . . . 63.32 110.836 172.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.17 -43.01 82.21 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.59 -0.893 . . . . 63.22 108.59 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m -77.9 87.04 4.1 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.51 107.759 164.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.42 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.22 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HB ' HG12 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.1 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.52 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.42 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 72.3 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 74.15 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 63.43 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 74.15 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 73.21 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 47' ' ' ASP . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 71.41 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.04 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.13 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 42.43 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 74.43 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 74.43 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.43 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG21 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 72.45 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.31 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 63.22 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 51.31 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.41 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.11 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.04 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 62.31 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 54.34 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.02 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.22 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.33 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.42 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 65.44 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.2 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.13 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 63.24 110.371 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.3 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.4 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.21 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.32 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.34 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 62.12 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 72.24 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 71.1 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.22 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.03 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 70.55 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 74.52 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 71.31 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.22 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.42 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.558 ' HB ' HG21 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.23 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.04 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' OG1' ' A' ' 55' ' ' THR . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 62.01 110.709 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.31 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 63.01 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.22 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.43 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.22 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.33 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.21 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.24 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 52.14 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 65.42 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.599 HD22 HG23 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 63.5 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 74.3 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.22 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.44 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' HB1' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.54 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 62.42 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.23 -42.9 27.33 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 70.11 111.115 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.1 p -166.81 128.41 1.69 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.386 0.674 . . . . 71.34 110.76 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.05 -44.1 9.04 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.418 -1.327 . . . . 71.35 107.418 160.128 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.4 29.26 0.19 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.547 1.139 . . . . 74.31 113.267 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.56 -10.31 59.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.369 -0.604 . . . . 74.11 109.369 157.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -70.44 126.0 28.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.171 0.988 . . . . 73.53 108.995 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -103.36 3.21 34.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.903 0.881 . . . . 74.45 111.03 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -156.63 144.89 19.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.303 0.641 . . . . 74.34 110.399 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -169.05 177.33 4.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.655 1.182 . . . . 64.45 109.171 164.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.501 -0.555 . . . . 74.13 109.501 178.178 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.633 -0.506 . . . . 73.31 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.24 72.38 2.81 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.28 0.363 . . . . 62.54 112.46 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.487 HD11 HD22 ' A' ' 27' ' ' LEU . 1.9 pt? -134.86 2.16 3.1 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.775 0.83 . . . . 73.34 109.923 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -72.46 78.9 1.04 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.306 1.042 . . . . 72.31 109.852 -174.475 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.13 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.2 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 5' ' ' ARG . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.34 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.42 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 45.13 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.12 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 55.42 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.12 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.21 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.11 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.31 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 47' ' ' ASP . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 53.45 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 62.41 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 74.21 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.34 110.378 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.33 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.41 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 71.01 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 19' ' ' ALA . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.31 110.125 -174.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.44 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.41 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 55.52 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD22 HD11 ' A' ' 3' ' ' LEU . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.54 109.708 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.23 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.45 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 72.31 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 72.25 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.33 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.45 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.33 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.11 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 61.22 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.14 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.35 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.12 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 62.21 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.25 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.22 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.45 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.33 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 65.24 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 71.23 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.24 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.32 111.613 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 70.23 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 74.11 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.44 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 61.15 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 64.31 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 72.04 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 61.02 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 65.14 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 65.33 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.12 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.51 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.32 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.32 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.12 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.34 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 52.45 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.44 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 70.52 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 63.14 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.24 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.54 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 72.31 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 70.31 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.576 ' HG3' HD21 ' A' ' 76' ' ' LEU . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.24 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.66 -87.99 2.03 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.11 112.269 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -108.81 116.08 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.603 0.761 . . . . 61.13 110.266 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 73' ' ' LYS . 1.5 mm? -109.98 -22.64 11.73 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.866 0.866 . . . . 73.33 110.435 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 -170.79 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.115 1.366 . . . . 54.34 109.306 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -70.96 71.95 0.55 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.813 0.845 . . . . 73.43 110.23 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -73.64 102.15 3.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.289 -0.869 . . . . 62.14 108.906 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.25 98.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.163 0.914 . . . . 64.25 110.957 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 49.1 p-80 -118.98 87.16 2.68 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.543 1.163 . . . . 71.23 109.06 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -113.4 0.49 14.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.474 1.11 . . . . 72.54 108.842 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.247 0.969 0 C-N-CA 126.137 1.775 . . . . 73.35 107.71 178.816 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.063 -0.347 . . . . 64.02 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.03 -97.52 2.15 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.432 -0.667 . . . . 53.13 111.432 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.12 154.75 24.05 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.438 0.695 . . . . 73.32 109.978 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m 57.91 63.99 1.65 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.323 1.049 . . . . 65.43 111.165 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.45 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 74.34 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 71.41 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.51 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.01 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 74.5 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 63.23 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.14 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 52.53 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.3 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.42 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.41 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 62.32 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.34 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 72.22 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.51 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 71.41 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.32 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 53.52 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.45 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 73.41 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 72.41 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.13 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.11 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 74.31 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.31 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.35 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.43 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.32 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.22 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 64.23 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 64.52 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.33 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 62.52 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.21 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 60.02 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HD2' HD23 ' A' ' 68' ' ' LEU . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.31 110.346 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 42.24 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.42 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.43 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 71.42 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.44 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 64.33 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.44 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 71.04 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.32 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.04 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 61.23 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.34 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 70.41 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.43 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.24 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.15 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 62.35 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 54.52 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.45 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.14 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.11 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.04 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 61.04 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 ' HD2' ' A' ' 44' ' ' PHE . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 34.22 110.914 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.32 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.23 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 65.04 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 61.21 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HG3' HD21 ' A' ' 76' ' ' LEU . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 72.44 111.273 -170.701 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.14 35.27 1.94 Allowed Glycine 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 42.32 113.193 174.115 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.0 p -158.23 91.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.293 0.547 . . . . 52.51 110.727 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 73' ' ' LYS . 3.3 mm? -128.23 133.9 48.9 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.983 -0.747 . . . . 74.14 108.983 171.675 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.29 -32.4 73.98 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.881 0.848 . . . . 70.22 110.303 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -111.73 87.8 2.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.721 -1.127 . . . . 62.45 108.388 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -63.57 98.7 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.899 -1.046 . . . . 74.33 109.258 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -135.75 156.63 48.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.275 0.56 . . . . 72.41 111.24 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -156.04 24.88 0.37 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.101 -1.408 . . . . 73.23 109.117 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.27 129.06 38.8 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.778 0.831 . . . . 72.3 111.558 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 CA--C 1.555 1.167 0 C-N-CA 124.412 1.085 . . . . 71.2 108.301 173.94 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.38 -0.6 . . . . 64.14 109.38 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.25 -155.86 23.13 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.783 0.677 . . . . 72.13 112.652 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.7 mt -118.68 -33.43 4.27 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.898 0.879 . . . . 74.44 110.194 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -90.94 170.25 10.22 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.555 1.142 . . . . 74.42 110.502 -176.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.14 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 53.23 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.2 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.41 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.4 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.15 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.32 109.875 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 73.21 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.14 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.41 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 71.53 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 73.4 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 61.04 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 62.11 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.43 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.12 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 55.14 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 70.31 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.33 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.24 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.0 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.34 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 61.1 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.23 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.12 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 72.11 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.15 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.41 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.44 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.53 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.41 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.14 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 60.42 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.42 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 63.34 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.31 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 63.51 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.43 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.22 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 71.12 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.42 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 61.25 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.12 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.1 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 54.31 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.3 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.31 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.21 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 64.42 110.27 178.441 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.22 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 63.12 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.24 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.4 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.04 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 70.25 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.3 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 72.54 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 61.34 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.34 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.45 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.51 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.44 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.22 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 44.12 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.12 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.42 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.31 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.21 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.31 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.09 73.72 Favored Glycine 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.13 112.453 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -171.5 -178.77 2.39 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.443 1.097 . . . . 62.22 110.302 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.4 mt -132.18 -172.23 2.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.167 1.387 . . . . 74.4 108.382 168.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.11 165.88 24.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.029 -0.73 . . . . 64.14 109.029 171.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -70.72 82.47 0.62 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.42 0.629 . . . . 65.04 109.641 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.74 -3.93 53.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.746 0.819 . . . . 70.35 110.687 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -74.2 101.07 3.86 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.105 0.562 . . . . 71.32 111.512 -171.115 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -116.8 168.03 10.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.532 1.133 . . . . 74.12 108.355 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -154.08 151.94 29.88 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.752 0.421 . . . . 74.14 110.242 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--O 1.252 1.209 0 N-CA-C 108.104 -1.073 . . . . 71.45 108.104 -179.001 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.231 0.086 . . . . 53.24 111.231 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 68.89 3.47 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 111.654 -0.578 . . . . 74.55 111.654 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.502 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.3 pt? -68.31 139.12 55.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.623 0.769 . . . . 63.11 110.911 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -79.03 81.1 5.33 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 62.3 108.6 174.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.51 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.14 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.01 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 35.41 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 71.42 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.51 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.3 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.35 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.45 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 51.31 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.15 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 63.33 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 41.21 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 61.33 109.934 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 64.32 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 53.54 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 63.13 110.098 172.364 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.24 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 63.13 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.11 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 73.52 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 43.51 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 63.21 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.12 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 73.4 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 61.03 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.2 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.01 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.22 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.13 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 72.32 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 65.02 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.03 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 71.4 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 70.14 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.33 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.14 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 64.53 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 60.12 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 65.15 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.3 111.609 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.33 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.32 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 50.53 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 54.24 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 73.22 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.44 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.22 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 43.3 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.14 109.023 172.399 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.15 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' HG23 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 63.13 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.22 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 62.1 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 71.45 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.454 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.13 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.1 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.22 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 61.01 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 64.32 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.13 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 60.23 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.54 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 71.01 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB3' HD11 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.11 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 73.11 110.288 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.6 -38.46 71.55 Favored Glycine 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 53.31 111.496 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -100.63 100.04 10.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.663 1.185 . . . . 62.41 108.48 168.693 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' VAL . 3.0 tt -80.01 -60.38 2.36 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.236 -1.024 . . . . 71.34 108.236 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.49 164.46 38.65 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.141 -0.936 . . . . 63.02 111.529 -170.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 150.68 43.97 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.894 -1.048 . . . . 74.54 110.071 171.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -76.14 96.47 3.88 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.225 0.536 . . . . 73.5 111.01 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.7 p-80 -84.75 -167.31 1.76 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.867 0.867 . . . . 74.21 109.148 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -67.19 150.91 48.45 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.62 -0.511 . . . . 72.02 109.62 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.48 72.65 1.89 Allowed 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 122.305 1.05 . . . . 75.14 110.492 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 108.072 -1.084 . . . . 71.31 108.072 -172.528 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.582 0.706 . . . . 63.14 110.249 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -78.79 1.16 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.299 -0.864 . . . . 72.42 113.054 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.31 159.88 25.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 64.13 112.669 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m -77.11 101.35 6.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.823 -0.626 . . . . 73.25 109.463 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.2 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 71.54 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 64.12 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.14 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.2 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.15 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 53.45 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 72.41 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.22 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.24 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 41.0 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 52.41 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.3 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.21 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.14 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 72.23 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 74.42 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 73.35 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.31 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 44.4 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.2 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.51 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.3 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 64.32 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.43 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.44 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 52.15 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.31 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.44 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.21 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.21 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 64.54 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 71.22 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.34 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.32 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.23 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 63.23 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.31 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 65.14 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 62.13 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 71.32 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 64.44 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.53 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.12 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.32 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 72.33 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.31 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 51.51 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 73.32 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 64.24 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 65.13 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 53.13 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.23 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.11 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 71.34 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.2 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 30.1 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.53 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.31 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 65.21 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.2 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.53 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 73.45 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.0 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 51.31 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.5 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 64.41 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.31 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.15 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -105.2 -84.27 1.74 Allowed Glycine 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.12 113.27 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -95.61 87.28 4.67 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.372 0.669 . . . . 73.33 110.477 -171.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HG ' ' HD3' ' A' ' 73' ' ' LYS . 4.3 mm? -117.51 146.35 43.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.684 0.794 . . . . 72.13 110.649 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -93.89 101.66 13.75 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.743 0.817 . . . . 52.32 110.335 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -150.13 71.02 1.05 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 106.688 -1.597 . . . . 71.11 106.688 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -57.84 91.24 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 113.965 -1.471 . . . . 72.3 112.605 -166.509 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -141.02 178.53 7.31 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.035 1.334 . . . . 74.31 108.953 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -132.5 117.77 18.44 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.869 0.868 . . . . 75.34 109.341 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -78.37 176.49 9.28 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.508 0.723 . . . . 64.42 110.149 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 CA--C 1.569 1.711 0 N-CA-C 112.734 0.642 . . . . 74.34 112.734 -170.244 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 108.757 -0.831 . . . . 73.01 108.757 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -142.3 4.4 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.395 -0.682 . . . . 62.04 111.395 167.309 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.74 -17.25 51.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.872 0.469 . . . . 54.31 112.12 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 30' ' ' GLU . 10.2 m -90.42 86.41 6.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.299 0.64 . . . . 75.22 110.773 -176.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 71.0 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 43.11 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.1 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 73.13 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 23.21 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.44 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.35 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 71.4 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 62.23 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 61.04 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.34 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 42.41 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.24 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 63.41 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.45 110.374 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.04 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.13 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.24 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.44 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.35 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.35 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 73.1 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 52.44 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.23 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 55.4 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.53 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 73.21 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.591 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.23 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 73.41 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.53 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.03 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.13 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 71.4 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.44 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 71.32 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 72.4 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.42 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.14 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 73.15 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 72.34 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.12 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.24 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.14 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE3' HG21 ' A' ' 31' ' ' VAL . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 62.0 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.1 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 54.31 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 63.22 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.32 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 64.52 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.43 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 73.42 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 44.13 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 52' ' ' ALA . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 65.35 109.173 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.14 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 53.01 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 61.51 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 71.24 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.3 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 71.14 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 25.21 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.15 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 73.24 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 40.13 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 64.35 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 61.34 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.33 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.51 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.76 -24.58 64.45 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.42 113.498 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.3 t -173.56 166.93 4.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.183 0.593 . . . . 74.4 111.388 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 76' ' ' LEU . 12.9 mt -144.65 152.62 40.74 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.789 1.236 . . . . 70.33 109.15 164.704 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.99 -27.14 48.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 114.912 -1.04 . . . . 74.43 109.536 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -75.15 -2.16 26.43 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.917 0.887 . . . . 74.43 112.897 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -98.74 100.41 11.62 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.999 -1.482 . . . . 71.51 106.999 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.63 126.14 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.889 0.876 . . . . 74.54 111.978 -168.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -75.31 97.09 3.5 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.606 -0.887 . . . . 63.21 108.606 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -76.64 144.68 39.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.503 0.721 . . . . 75.24 111.225 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.7 m80 . . . . . 0 N--CA 1.478 0.963 0 C-N-CA 124.396 1.078 . . . . 65.34 108.788 177.012 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.325 -0.62 . . . . 71.25 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.26 53.68 42.59 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 123.777 0.673 . . . . 41.24 112.219 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.07 122.29 22.44 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.414 0.685 . . . . 50.13 109.998 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.87 84.76 2.81 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.21 109.089 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 70.42 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 61.41 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.586 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 64.32 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 50.31 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.51 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.32 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.43 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.21 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.31 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 64.31 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 73.14 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.32 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 72.53 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 63.34 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 44.13 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 61.44 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 45.21 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 74.22 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 61.4 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.51 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 65.11 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.02 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 52.14 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.12 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 73.11 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.33 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.14 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.13 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.21 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.32 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.13 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 50.23 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.31 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.44 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 73.41 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.52 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 54.22 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.3 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.12 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 68' ' ' LEU . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.2 111.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.2 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.34 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.31 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 65.32 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.32 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 61.34 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 61.21 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 55.03 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 63.13 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.21 112.366 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 ' OG1' HG22 ' A' ' 57' ' ' VAL . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 65.34 111.273 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.13 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' OG1' ' A' ' 55' ' ' THR . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.33 110.737 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.31 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 73.15 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.1 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 51.23 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.13 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 71.24 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.35 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.43 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' HB3' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 73.14 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 72.43 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 44' ' ' PHE . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.23 108.92 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.11 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.45 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 60.43 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 71.35 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 76' ' ' LEU . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.21 110.029 176.358 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.53 -86.64 1.86 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 44.51 109.286 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -87.39 98.01 11.13 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.445 -0.946 . . . . 70.24 108.445 173.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 73' ' ' LYS . 2.5 tm? -81.31 -46.82 14.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.679 0.792 . . . . 71.11 110.089 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -162.7 1.22 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.755 1.222 . . . . 72.44 109.874 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.96 127.42 26.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.227 1.011 . . . . 71.3 112.698 -173.153 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -149.64 92.87 1.97 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.219 1.407 . . . . 73.23 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -75.6 -31.11 59.81 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.245 -0.65 . . . . 75.43 109.245 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -129.93 174.68 9.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 72.52 109.955 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -154.39 133.71 12.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.463 -0.94 . . . . 73.52 108.463 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 109.457 -0.571 . . . . 63.13 109.457 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 65.01 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.76 31.49 0.07 OUTLIER Glycine 0 C--N 1.339 0.742 0 O-C-N 123.605 0.566 . . . . 51.3 112.37 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.49 123.71 25.25 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.228 -1.027 . . . . 75.32 108.228 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -79.39 93.49 5.36 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 108.953 -0.758 . . . . 63.2 108.953 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 72.24 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.13 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.24 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 62.4 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.23 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 51.51 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.32 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 65.15 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 61.04 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 63.54 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 52.13 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 51.14 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 64.34 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 55.42 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.21 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 72.31 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 64.15 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 71.42 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 45.33 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.02 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 61.34 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 71.32 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.03 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.22 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 73.14 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.23 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 73.51 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 35.32 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 71.43 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.31 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 70.14 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 65.12 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 55.03 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 64.52 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 65.43 111.071 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 70.15 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.41 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 72.21 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' HD2' HD23 ' A' ' 68' ' ' LEU . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.02 109.991 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 72.03 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.03 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' HD21 ' A' ' 16' ' ' LEU . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.23 113.627 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 74.13 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.04 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.35 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 61.22 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.24 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 60.52 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.43 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.55 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.34 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 72.24 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 71.42 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 61.32 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.33 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.32 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.13 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 61.32 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 61.24 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 43.15 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.44 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.24 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 44' ' ' PHE . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.33 110.616 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 74.12 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 51.22 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 65.22 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.44 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.51 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.95 -112.72 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.01 111.564 171.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.2 m -86.98 130.44 34.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.421 0.688 . . . . 70.43 111.822 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -127.83 136.74 51.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.501 0.721 . . . . 43.01 110.927 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 35.21 50.35 0.5 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.232 2.213 . . . . 73.11 115.636 165.009 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 m80 55.48 25.87 8.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 114.791 1.404 . . . . 73.02 114.791 160.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.58 16.45 0.5 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.963 0.727 . . . . 65.42 112.963 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -92.81 15.73 14.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.97 0.908 . . . . 60.5 110.537 162.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -72.04 92.59 1.32 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.546 -0.909 . . . . 74.35 108.546 175.262 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -72.6 116.87 13.58 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.099 -0.704 . . . . 74.32 109.099 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 108.435 -0.95 . . . . 72.12 108.435 179.614 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.869 0.366 . . . . 64.32 110.282 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.423 ' HA2' HD22 ' A' ' 27' ' ' LEU . . . -92.03 78.35 1.26 Allowed Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.643 -0.708 . . . . 61.12 112.446 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pp -142.75 148.16 36.76 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 53.32 108.92 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m -82.8 80.93 8.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 74.12 109.79 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.32 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 54.3 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 73.52 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 54.31 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.55 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 65.23 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.12 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 34.35 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.04 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.53 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.23 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 48' ' ' MET . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.24 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 71.31 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 54.13 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 72.53 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.03 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.43 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 63.14 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.02 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.32 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 72.34 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.33 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA2' ' A' ' 2' ' ' GLY . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.23 110.679 -177.393 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.32 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD21 HD12 ' A' ' 7' ' ' ILE . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.03 109.0 -171.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.12 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 62.13 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 71.42 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.42 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.31 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 65.44 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 71.14 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.41 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 63.13 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 71.3 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.24 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.423 HG21 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.22 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.03 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.44 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 72.3 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.31 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 33.33 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.24 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.561 ' HG3' HD12 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 65.35 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.43 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.43 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 71.14 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 70.1 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.14 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 72.44 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.35 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.42 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 65.12 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 64.21 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 63.33 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 63.12 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 53.44 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 71.54 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.423 ' HH2' HG21 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.24 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.43 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 32.24 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 71.33 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 64.11 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.31 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.32 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD12 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.43 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.55 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 52.54 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.657 ' HG3' HD21 ' A' ' 76' ' ' LEU . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 61.41 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.09 99.19 1.23 Allowed Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 53.55 111.912 -169.407 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 m 70.1 93.99 0.08 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.566 1.147 . . . . 73.51 112.801 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD21 ' HG3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -120.19 -45.38 2.45 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.146 1.378 . . . . 75.32 107.384 -176.578 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 95.32 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.366 0 CA-C-N 112.786 -2.006 . . . . 74.03 113.424 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -73.92 -46.43 44.36 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.998 -1.112 . . . . 74.23 107.998 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -101.45 148.39 25.24 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.919 -1.491 . . . . 62.32 108.17 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -87.9 112.82 22.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.993 -0.743 . . . . 54.44 108.993 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -62.84 112.22 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.572 0.701 . . . . 72.32 110.835 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -77.36 20.0 0.32 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.233 1.413 . . . . 51.3 112.589 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--O 1.252 1.196 0 N-CA-C 106.957 -1.497 . . . . 75.23 106.957 176.594 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.126 -0.324 . . . . 75.51 110.126 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.67 104.32 0.25 Allowed Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.9 -0.88 . . . . 55.13 110.9 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -128.44 160.56 31.89 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.146 0.978 . . . . 71.43 109.39 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -60.0 167.25 2.35 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.617 1.167 . . . . 72.33 111.296 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 64.13 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 72.3 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.441 ' HB ' HG12 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.4 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 64.44 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.02 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 72.12 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.24 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 65.15 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.35 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 71.21 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 60.33 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 70.41 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.01 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 72.1 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.54 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.54 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 54.54 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.53 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 63.04 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 64.44 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.55 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 62.55 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.11 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 72.31 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 70.21 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.31 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' HB ' ' A' ' 7' ' ' ILE . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 70.13 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.53 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.43 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 62.04 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.04 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 66' ' ' ASN . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 71.02 110.471 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 65.05 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.24 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 72.25 110.056 -176.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.53 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 61.31 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.21 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.14 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 68' ' ' LEU . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.13 109.72 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.44 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 62.0 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.45 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.03 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.13 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 51.23 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 74.01 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 64.4 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 71.44 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.21 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 73.42 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 43.41 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.31 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.11 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 52.53 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 64.04 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.55 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.54 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.35 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 72.35 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 55.24 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 36' ' ' THR . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 62.14 109.0 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.12 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 44' ' ' PHE . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 71.24 111.031 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.34 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.14 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 74.25 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.794 HD11 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 63.34 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.43 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.43 -63.03 4.33 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 55.23 114.932 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -107.91 136.75 47.09 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.696 -0.853 . . . . 64.43 108.696 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -139.61 157.27 46.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.666 0.786 . . . . 73.24 111.509 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.1 110.58 22.62 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.184 -1.371 . . . . 71.33 107.53 164.218 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -75.74 89.79 2.85 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.146 0.498 . . . . 74.54 109.776 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -85.75 61.23 6.72 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.178 0.99 . . . . 65.42 110.795 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -137.66 8.11 2.81 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.692 1.197 . . . . 72.42 108.819 166.011 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -104.38 91.43 3.9 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.105 0.962 . . . . 64.45 108.915 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.03 118.14 20.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.206 -0.664 . . . . 64.32 109.206 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 42.2 p-80 . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 123.451 0.7 . . . . 75.45 109.414 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.172 -0.677 . . . . 52.33 109.172 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.31 -10.98 5.33 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 119.923 -0.376 . . . . 71.14 113.211 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.55 125.64 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.088 -0.708 . . . . 71.44 109.088 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -74.39 89.73 2.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 70.1 108.887 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 62.44 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.35 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 64.54 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.42 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 61.42 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.51 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 72.33 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 51.13 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.24 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.4 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 61.42 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 65.35 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.22 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.34 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.22 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 61.15 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 65.31 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.52 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.24 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 52.15 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 64.32 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 71.55 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 62.44 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.13 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 65.43 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.22 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.21 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.13 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.15 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.34 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.14 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 53.34 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 72.33 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.42 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 73.0 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.03 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.54 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.2 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 71.15 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.31 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 64.34 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 63.05 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.32 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.02 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.33 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.14 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 70.04 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.14 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 65.22 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 61.23 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 71.14 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.22 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.42 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.24 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.12 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 71.14 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.54 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 70.51 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 54.2 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.32 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.15 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 65.23 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HE3' ' HA ' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.2 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 65.44 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 62.51 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.31 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.33 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.42 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HG3' HD21 ' A' ' 76' ' ' LEU . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.31 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.4 16.01 55.56 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.35 114.399 -163.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 p -161.03 88.01 0.74 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 117.459 0.63 . . . . 55.12 111.397 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 73' ' ' LYS . 2.1 mm? -122.04 -168.42 1.71 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.167 0.987 . . . . 74.41 108.758 174.452 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.32 50.58 1.64 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.516 0.726 . . . . 52.11 109.631 165.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -66.35 134.21 52.11 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 108.267 -1.012 . . . . 74.11 108.267 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -59.19 107.9 0.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.684 0.615 . . . . 71.42 111.232 -168.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -62.74 139.18 58.67 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.702 -0.681 . . . . 71.1 109.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -56.56 114.89 2.22 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 124.206 0.942 . . . . 65.44 112.049 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -93.92 35.32 1.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.461 1.104 . . . . 64.45 109.627 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.552 1.541 . . . . 70.42 107.327 -176.551 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.888 -0.412 . . . . 75.34 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.13 99.07 1.84 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 110.054 -1.219 . . . . 72.23 110.054 -170.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -114.86 -168.23 1.35 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 117.169 0.484 . . . . 73.22 111.542 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -81.47 90.71 6.23 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.011 0.925 . . . . 73.33 111.145 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.1 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 71.3 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 64.35 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.24 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.449 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 65.31 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 63.55 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 50.41 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.22 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 64.54 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.24 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.44 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.41 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 71.14 110.091 177.291 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.55 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 71.35 111.421 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.35 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.499 HG23 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.04 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.23 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.7 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.42 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.43 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.32 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 70.11 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.34 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.42 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.12 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.51 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.4 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.11 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.05 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.03 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.14 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 73.24 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.4 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.14 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.52 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 51.54 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.44 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.54 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.33 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.15 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.03 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 74.51 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.14 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 44.22 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 61.42 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.3 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 73.11 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.21 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 64.32 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 76' ' ' LEU . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.21 109.954 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.34 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.501 HD12 ' HZ3' ' A' ' 61' ' ' LYS . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.12 109.261 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 73.31 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HZ3' HD12 ' A' ' 59' ' ' ILE . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 74.34 108.349 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.14 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 71.34 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.33 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.01 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.31 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.12 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 64.11 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.51 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.13 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 71.41 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.637 HD12 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.02 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 72.44 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -53.77 -43.97 69.96 Favored Glycine 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 65.2 113.158 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.6 p -97.22 76.59 2.63 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.315 -0.995 . . . . 73.44 108.315 168.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' VAL . 4.9 tt -67.99 -58.88 3.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.181 -1.044 . . . . 61.04 108.181 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -94.78 103.34 15.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.366 -0.834 . . . . 74.11 110.245 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -92.06 55.97 2.75 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 107.701 -1.222 . . . . 61.13 107.701 166.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.1 t60 28.52 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.385 2.274 . . . . 63.41 113.661 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -124.21 81.08 1.89 Allowed 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.46 -0.941 . . . . 65.4 108.46 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -83.97 175.28 9.67 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.279 -0.873 . . . . 63.35 109.617 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -72.44 111.85 7.99 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.891 -0.595 . . . . 62.4 109.442 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.734 -0.839 . . . . 72.44 108.734 -176.687 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.38 -0.6 . . . . 62.43 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.28 -133.69 3.1 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.473 -1.051 . . . . 74.13 110.473 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -164.99 129.72 2.53 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.122 0.569 . . . . 73.24 109.781 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -89.6 63.31 6.21 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.22 108.335 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 65.12 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 43.34 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.35 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.04 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 74.11 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.13 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 28.1 t-20 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 44.21 108.029 176.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.21 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 63.11 111.076 -173.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.41 110.776 178.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 72.32 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.12 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.33 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 62.03 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 33.12 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 64.44 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 73.12 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 62.42 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.53 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.23 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 62.12 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.03 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.43 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 62.53 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 70.31 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.32 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.42 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.42 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.15 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.41 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 52.13 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 72.24 112.974 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 61.31 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.54 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 71.24 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 74.1 111.837 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.21 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 68' ' ' LEU . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.13 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.43 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 63.32 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 72.23 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.45 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.609 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 53.05 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 32.12 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 52.35 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 55.51 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 73.43 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 74.3 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.52 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 53.5 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.622 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 61.32 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 63.55 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.04 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.45 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 52.34 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.44 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.53 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.04 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.32 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.33 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 71.41 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 65.31 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.33 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 73.13 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.35 107.836 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 63.22 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.29 -46.02 2.45 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.02 112.095 -171.342 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -110.86 113.99 26.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.179 0.591 . . . . 73.45 109.562 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HG3' ' A' ' 73' ' ' LYS . 3.0 mm? -125.72 168.01 14.37 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.229 1.012 . . . . 72.1 110.471 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.38 62.77 3.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.234 -1.395 . . . . 74.51 107.234 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -73.04 88.44 1.4 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.486 -0.931 . . . . 74.11 108.486 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -56.27 90.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.139 1.376 . . . . 52.54 114.281 -162.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.24 147.87 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.088 1.755 . . . . 73.43 107.485 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.05 95.51 0.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.144 -0.687 . . . . 74.51 109.144 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -141.83 120.41 12.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.327 1.051 . . . . 72.13 109.254 -170.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.773 -0.825 . . . . 73.51 108.773 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.701 -0.481 . . . . 73.41 109.701 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.07 108.85 2.33 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 115.802 -0.635 . . . . 74.2 112.046 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -152.18 149.45 28.76 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.591 0.757 . . . . 63.42 110.248 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m -137.16 91.9 2.66 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.43 107.697 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.1 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.31 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' HB ' HG12 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 63.2 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 60.33 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.42 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.24 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 65.54 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 63.34 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.12 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 71.15 110.127 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 63.12 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.01 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 55.41 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 62.31 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.42 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.44 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 71.11 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 51.52 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 63.01 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.11 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.23 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.44 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 73.35 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 63.12 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.33 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG21 ' HE3' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 51.42 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 72.35 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.35 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.44 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.21 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.05 110.468 174.505 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.14 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.41 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 71.32 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.44 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 63.5 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 63.11 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.54 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 73.41 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 72.14 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.52 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HB3' HD21 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.13 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE3' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.33 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 60.21 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 72.12 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.44 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 71.43 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.24 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.33 112.825 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' OG1' HG22 ' A' ' 57' ' ' VAL . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.44 111.845 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 34.33 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 ' OG1' ' A' ' 55' ' ' THR . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.11 110.403 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' H ' HD21 ' A' ' 76' ' ' LEU . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 45.32 108.415 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 HD13 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.4 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 73.42 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.31 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 71.15 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.22 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.23 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 60.44 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.1 t-20 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.51 112.08 -176.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.43 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 62.24 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 65.32 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 72.13 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.52 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 65.33 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.42 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.4 -2.19 73.17 Favored Glycine 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.03 113.476 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 p -154.6 132.29 11.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.424 1.09 . . . . 72.13 109.063 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD21 ' H ' ' A' ' 58' ' ' GLN . 4.2 mm? -110.45 168.19 9.64 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.749 0.785 . . . . 72.43 111.321 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -85.5 177.23 7.83 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.745 -1.116 . . . . 71.4 108.397 166.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -59.48 125.72 24.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.552 -0.536 . . . . 73.0 109.552 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -144.6 156.57 44.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.964 0.506 . . . . 72.22 110.34 -173.548 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -72.89 141.87 47.9 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.793 -0.639 . . . . 73.11 110.333 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.38 -89.51 0.09 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.568 0.347 . . . . 74.32 110.173 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -105.39 -30.33 9.66 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.786 0.834 . . . . 74.01 110.455 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.662 -0.866 . . . . 74.15 108.662 175.159 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.043 0.449 . . . . 75.33 110.683 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.57 -54.17 0.28 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.354 -1.099 . . . . 55.42 110.354 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 27' ' ' LEU . 7.5 mp 57.55 25.49 11.62 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.707 1.203 . . . . 72.42 111.766 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -87.46 72.88 9.63 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.274 -0.875 . . . . 51.35 109.316 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.43 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.31 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.43 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 63.11 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.31 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 64.43 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.2 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.43 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.2 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 64.4 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.22 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 72.44 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 63.54 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 55.14 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.41 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.31 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.21 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 71.2 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.512 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 62.45 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 43.1 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.2 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 54.11 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.2 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 3' ' ' LEU . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 55.25 108.903 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.53 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 71.05 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 41.55 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.24 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.43 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 44.12 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.518 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.44 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 64.13 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 64.22 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.44 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.45 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.2 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 72.41 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.507 HD13 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 62.41 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.43 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.22 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 63.12 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.34 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.05 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 73.04 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HE3' HG21 ' A' ' 31' ' ' VAL . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.34 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 53.11 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 72.13 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.4 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.21 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.13 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 71.11 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.512 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 61.25 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.32 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 54.24 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.498 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.12 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 70.34 110.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 61.41 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.14 108.69 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.31 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.507 ' HH2' HD13 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.0 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.01 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 43.41 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.24 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.13 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 63.53 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 72.55 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.13 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.41 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.34 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.42 -47.48 62.86 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.35 114.634 -169.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' A' ' 78' ' ' HIS . 67.1 p -175.16 146.93 0.88 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.372 1.069 . . . . 75.45 109.832 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.69 -71.57 0.74 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.473 0.654 . . . . 62.14 109.511 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -18.33 39.0 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.592 1.557 . . . . 72.45 113.093 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 75' ' ' SER . 44.9 t-80 -80.82 35.24 0.36 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.964 0.906 . . . . 74.4 112.022 -177.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -132.44 122.54 25.1 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.319 -0.993 . . . . 74.55 108.319 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -71.37 82.89 0.78 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.853 0.861 . . . . 63.03 109.596 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -67.06 86.56 0.14 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.357 1.063 . . . . 71.42 111.595 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -146.23 169.92 17.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.667 -1.151 . . . . 63.41 109.572 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.75 -0.833 . . . . 73.35 108.75 175.321 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.497 -0.186 . . . . 73.52 110.497 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.83 35.51 3.51 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 113.953 0.341 . . . . 33.21 113.953 -175.307 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -109.63 103.25 12.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.013 0.925 . . . . 75.24 108.827 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m -73.05 88.37 1.41 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.51 1.124 . . . . 72.04 109.816 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.44 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.14 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 ' HB ' HG12 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.32 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 71.11 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.2 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 73.32 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 60.22 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 54.32 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.44 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.12 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.44 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.15 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.14 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 63.31 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 71.03 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 70.54 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 53.0 110.761 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 71.15 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 64.54 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.14 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.22 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.23 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.21 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 72.2 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 51.41 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.23 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.53 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 62.32 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.34 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.42 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 64.34 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.33 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 71.42 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 64.22 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.23 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.53 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 72.15 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 73.2 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' HD2' HD23 ' A' ' 68' ' ' LEU . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 63.12 111.029 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.35 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 73.43 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' A' ' 16' ' ' LEU . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.44 112.708 175.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.41 ' HE3' HG21 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 73.45 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 64.13 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.3 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 72.44 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.42 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 74.12 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 71.55 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 72.1 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 61.22 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 62.43 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.31 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 44.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 43.24 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 72.04 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.44 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.03 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.35 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.22 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 54.33 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 ' HD2' ' A' ' 44' ' ' PHE . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.24 109.152 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.31 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 73.32 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 61.01 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.04 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 76' ' ' LEU . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -74.74 -25.71 69.05 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 71.32 112.056 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 p -163.7 165.57 23.08 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.448 1.099 . . . . 63.43 110.623 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD21 ' HD3' ' A' ' 73' ' ' LYS . 36.8 mt -135.99 166.15 24.02 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.961 1.705 . . . . 62.22 107.498 170.303 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.91 144.77 47.23 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 107.999 -1.112 . . . . 74.01 107.999 167.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -61.31 106.0 0.57 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.965 0.506 . . . . 55.15 110.31 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -57.66 115.1 2.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.432 1.093 . . . . 73.53 111.398 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -73.74 79.59 1.56 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.794 0.807 . . . . 65.3 109.918 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -152.62 131.07 12.15 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.877 1.671 . . . . 74.01 107.479 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.01 80.7 4.43 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.63 -0.508 . . . . 73.45 109.63 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.559 1.289 0 C-N-CA 123.494 0.718 . . . . 63.2 110.314 -177.047 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.3 -0.629 . . . . 74.34 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 27' ' ' LEU . . . -85.35 79.38 1.9 Allowed Glycine 0 C--N 1.35 1.34 0 N-CA-C 111.01 -0.836 . . . . 72.54 111.01 177.049 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.82 139.02 57.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.847 0.859 . . . . 75.42 111.805 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -79.92 70.3 6.45 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.143 -0.935 . . . . 71.02 108.632 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.54 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.34 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 71.23 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 63.12 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 62.12 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.52 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 52.44 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 72.23 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.21 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.24 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.41 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 60.33 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 73.13 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 43.33 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.04 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.12 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 71.14 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.34 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.33 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 55.6 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.44 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 44.31 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 2' ' ' GLY . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 63.12 109.69 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.24 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 64.03 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 61.11 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG12 ' HB ' ' A' ' 7' ' ' ILE . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 51.05 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.43 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.41 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.34 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.31 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 42.25 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 63.21 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.03 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.25 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.1 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.2 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 72.24 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.34 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 48' ' ' MET . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.42 109.326 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 64.22 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 73.25 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 64.35 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.21 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.51 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.14 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.12 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' HE2' ' N ' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 53.33 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.32 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.33 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.12 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 71.4 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLN . . . . . 0.698 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.41 110.795 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.23 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.4 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 73.24 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.34 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 63.15 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.53 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.03 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 61.24 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 44' ' ' PHE . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 72.12 110.106 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 60.53 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 64.43 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.21 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 70.44 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 53.41 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 -25.21 50.47 Favored Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.21 111.753 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -161.24 179.76 8.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.99 0.916 . . . . 61.41 109.79 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LEU . . . . . 0.698 HD11 ' HG2' ' A' ' 58' ' ' GLN . 12.4 mt -124.88 -174.17 2.97 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.061 1.345 . . . . 74.54 109.61 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.3 -42.43 93.08 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.002 -1.11 . . . . 71.41 108.002 167.705 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -160.68 143.86 13.27 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 112.923 -1.944 . . . . 73.11 106.282 172.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -62.56 107.34 0.92 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.505 -0.554 . . . . 75.54 109.505 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -68.16 79.2 0.24 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.043 1.337 . . . . 64.22 111.608 -168.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 170.31 0.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.95 2.1 . . . . 63.4 110.803 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -83.43 74.33 10.09 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.989 0.915 . . . . 73.04 110.837 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 106.743 -1.577 . . . . 65.05 106.743 173.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 65.150000000000006 109.68 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.200000000000003 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.209999999999994 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG12 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 61.420000000000002 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.329999999999998 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.109999999999999 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 64.510000000000005 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 70.25 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.530000000000001 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.120000000000005 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 70.430000000000007 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.019999999999996 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.140000000000001 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 51.229999999999997 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 62.030000000000001 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.010000000000005 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 53.119999999999997 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 73.200000000000003 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.530000000000001 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 32.119999999999997 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 71.209999999999994 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 73.409999999999997 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 53.409999999999997 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 73.319999999999993 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 64.409999999999997 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.129999999999995 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 71.239999999999995 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.0 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 61.340000000000003 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 71.420000000000002 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 71.439999999999998 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 74.129999999999995 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.209999999999994 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.450000000000003 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 63.539999999999999 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 55.340000000000003 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.120000000000005 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.420000000000002 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 73.239999999999995 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.310000000000002 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 51.509999999999998 111.0 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 53.329999999999998 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 64.239999999999995 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 62.399999999999999 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.230000000000004 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 60.229999999999997 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 64.430000000000007 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.329999999999998 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 54.420000000000002 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.010000000000005 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.329999999999998 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 72.129999999999995 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.310000000000002 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.430000000000007 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.120000000000005 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.420000000000002 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 73.409999999999997 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 51.420000000000002 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.209999999999994 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 61.229999999999997 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 41.119999999999997 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 53.409999999999997 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 63.409999999999997 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.010000000000005 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.030000000000001 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 54.329999999999998 112.983 178.41 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m . . . . . 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 71.099999999999994 108.935 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.230000000000004 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.099999999999994 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.510000000000005 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.420000000000002 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 55.340000000000003 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.129999999999995 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 64.430000000000007 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.319999999999993 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.439999999999998 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.219999999999999 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 72.400000000000006 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 54.340000000000003 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 64.140000000000001 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 64.049999999999997 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 71.0 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 54.420000000000002 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 63.020000000000003 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.549999999999997 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 73.430000000000007 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.510000000000005 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 60.109999999999999 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 70.219999999999999 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 64.230000000000004 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 54.100000000000001 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.239999999999995 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.349999999999994 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.120000000000005 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.120000000000005 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.129999999999995 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.009999999999998 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.129999999999995 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.109999999999999 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.100000000000001 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.030000000000001 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 61.340000000000003 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.615 HG23 HD22 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 41.030000000000001 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.120000000000005 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.439999999999998 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.209999999999994 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 72.519999999999996 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 60.140000000000001 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' CE1' ' A' ' 44' ' ' PHE . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 74.409999999999997 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.340000000000003 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.340000000000003 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 52.310000000000002 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 71.420000000000002 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 71.140000000000001 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.150000000000006 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.040000000000006 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.520000000000003 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 64.519999999999996 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 70.219999999999999 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 54.32 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.010000000000005 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 61.409999999999997 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.140000000000001 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.329999999999998 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.519999999999996 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.010000000000005 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.109999999999999 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.430000000000007 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.615 HD22 HG23 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.109999999999999 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.450000000000003 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.420000000000002 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.340000000000003 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 65.099999999999994 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 65.010000000000005 109.258 169.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.329999999999998 110.847 177.494 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m . . . . . 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.509999999999998 107.759 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.420000000000002 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.219999999999999 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HB ' HG12 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.099999999999994 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.519999999999996 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.420000000000002 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 72.299999999999997 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 74.150000000000006 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 63.43 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 74.150000000000006 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 73.209999999999994 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 47' ' ' ASP . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 71.409999999999997 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.040000000000006 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.129999999999995 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 42.43 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 74.430000000000007 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 74.430000000000007 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.430000000000007 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.558 HG21 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 72.450000000000003 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.310000000000002 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 63.219999999999999 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 51.310000000000002 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.409999999999997 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.109999999999999 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.040000000000006 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 62.310000000000002 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 54.340000000000003 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.019999999999996 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.219999999999999 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.329999999999998 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 65.439999999999998 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.200000000000003 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.129999999999995 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 63.240000000000002 110.371 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.299999999999997 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.400000000000006 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.209999999999994 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.319999999999993 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.340000000000003 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 62.119999999999997 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 72.239999999999995 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 71.099999999999994 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.219999999999999 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.030000000000001 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 70.549999999999997 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 74.519999999999996 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 71.310000000000002 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.219999999999999 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.420000000000002 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.558 ' HB ' HG21 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.230000000000004 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.040000000000006 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' OG1' ' A' ' 55' ' ' THR . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 62.009999999999998 110.709 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.310000000000002 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 63.009999999999998 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.219999999999999 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.430000000000007 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.219999999999999 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.329999999999998 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.209999999999994 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.239999999999995 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 52.140000000000001 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 65.420000000000002 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.599 HD22 HG23 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 63.5 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 74.299999999999997 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.219999999999999 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.439999999999998 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' HB1' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.540000000000006 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 62.420000000000002 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 70.109999999999999 111.115 -176.544 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m . . . . . 0 CA--C 1.549 0.915 0 CA-C-O 121.456 0.646 . . . . 72.310000000000002 109.852 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.129999999999995 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.200000000000003 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 5' ' ' ARG . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.340000000000003 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.420000000000002 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 45.130000000000003 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.120000000000005 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 55.420000000000002 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.120000000000005 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.209999999999994 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.109999999999999 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.310000000000002 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 47' ' ' ASP . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 53.450000000000003 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 62.409999999999997 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 74.209999999999994 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.340000000000003 110.378 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.329999999999998 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.409999999999997 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 71.010000000000005 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 19' ' ' ALA . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.310000000000002 110.125 -174.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.439999999999998 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.409999999999997 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 55.520000000000003 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.540000000000006 109.708 179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.229999999999997 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.450000000000003 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 72.310000000000002 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.59 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 72.25 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.329999999999998 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.450000000000003 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.329999999999998 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.109999999999999 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 61.219999999999999 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.140000000000001 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.349999999999994 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.120000000000005 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 62.210000000000001 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.25 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.219999999999999 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.450000000000003 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.329999999999998 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 65.239999999999995 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 71.230000000000004 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.240000000000002 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.319999999999993 111.613 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 70.230000000000004 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 74.109999999999999 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.439999999999998 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 61.149999999999999 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 64.310000000000002 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 72.040000000000006 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 61.020000000000003 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 65.140000000000001 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 65.329999999999998 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.549 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.120000000000005 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.510000000000005 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.319999999999993 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.319999999999993 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.120000000000005 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.340000000000003 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 52.450000000000003 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.439999999999998 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 70.519999999999996 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 63.140000000000001 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.239999999999995 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.540000000000006 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 72.310000000000002 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 70.310000000000002 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.549 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.239999999999995 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.109999999999999 112.269 -176.655 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m . . . . . 0 N--CA 1.48 1.045 0 CA-C-O 121.829 0.823 . . . . 65.430000000000007 111.165 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.450000000000003 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 74.340000000000003 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 71.409999999999997 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.510000000000005 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.010000000000005 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 74.5 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 63.229999999999997 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.140000000000001 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 52.530000000000001 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.299999999999997 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.420000000000002 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.409999999999997 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 62.32 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.340000000000003 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 72.219999999999999 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.510000000000005 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 71.409999999999997 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.319999999999993 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 53.520000000000003 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.450000000000003 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 72.409999999999997 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.129999999999995 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.109999999999999 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 74.310000000000002 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.310000000000002 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.349999999999994 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.430000000000007 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.319999999999993 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.219999999999999 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 64.230000000000004 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 64.519999999999996 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.329999999999998 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 62.520000000000003 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.209999999999994 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 60.020000000000003 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HD2' HD23 ' A' ' 68' ' ' LEU . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.310000000000002 110.346 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 42.240000000000002 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.430000000000007 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 71.420000000000002 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.439999999999998 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 64.329999999999998 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.439999999999998 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 71.040000000000006 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.319999999999993 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.040000000000006 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 61.229999999999997 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.340000000000003 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 70.409999999999997 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.430000000000007 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.239999999999995 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.150000000000006 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 62.350000000000001 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 54.520000000000003 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.450000000000003 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.140000000000001 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.109999999999999 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.040000000000006 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 61.039999999999999 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 ' HD2' ' A' ' 44' ' ' PHE . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 34.219999999999999 110.914 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.319999999999993 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.229999999999997 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 65.040000000000006 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 61.210000000000001 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 72.439999999999998 111.273 -170.701 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 42.32 113.193 174.115 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m . . . . . 0 CA--C 1.553 1.093 0 CA-C-O 120.625 0.25 . . . . 74.420000000000002 110.502 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.140000000000001 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 53.229999999999997 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.568 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.200000000000003 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.409999999999997 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.400000000000006 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.150000000000006 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.319999999999993 109.875 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 73.209999999999994 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.140000000000001 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.409999999999997 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 71.530000000000001 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 73.400000000000006 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 61.039999999999999 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 62.109999999999999 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.430000000000007 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.120000000000005 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 55.140000000000001 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 70.310000000000002 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.329999999999998 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.240000000000002 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.340000000000003 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 61.100000000000001 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.230000000000004 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.120000000000005 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 72.109999999999999 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.150000000000006 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.409999999999997 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.439999999999998 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.530000000000001 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.409999999999997 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.140000000000001 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 60.420000000000002 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.420000000000002 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 63.340000000000003 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.310000000000002 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 63.509999999999998 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.430000000000007 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.219999999999999 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 71.120000000000005 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.420000000000002 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 61.25 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.120000000000005 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.099999999999994 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 54.310000000000002 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.299999999999997 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.310000000000002 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.209999999999994 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 64.420000000000002 110.27 178.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.219999999999999 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 63.119999999999997 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.239999999999995 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.400000000000006 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.040000000000006 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 70.25 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.299999999999997 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 72.540000000000006 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 61.340000000000003 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.340000000000003 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.450000000000003 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.509999999999998 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.439999999999998 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.219999999999999 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 44.119999999999997 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.120000000000005 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.420000000000002 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.310000000000002 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.209999999999994 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.310000000000002 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.129999999999995 112.453 179.07 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m . . . . . 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 62.299999999999997 108.6 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.510000000000005 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.140000000000001 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.010000000000005 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 35.409999999999997 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 71.420000000000002 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.510000000000005 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.299999999999997 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.349999999999994 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.450000000000003 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 51.310000000000002 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.150000000000006 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 63.329999999999998 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 41.210000000000001 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 61.329999999999998 109.934 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 64.319999999999993 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 53.539999999999999 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 63.130000000000003 110.098 172.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.239999999999995 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 63.130000000000003 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.109999999999999 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 73.519999999999996 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 43.509999999999998 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 63.210000000000001 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.120000000000005 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 73.400000000000006 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 61.030000000000001 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.200000000000003 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.010000000000005 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.219999999999999 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.129999999999995 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 72.319999999999993 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 65.019999999999996 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.030000000000001 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 71.400000000000006 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 70.140000000000001 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.329999999999998 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.140000000000001 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 64.530000000000001 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 60.119999999999997 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 65.150000000000006 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.299999999999997 111.609 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.329999999999998 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.319999999999993 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 50.530000000000001 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 54.240000000000002 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 73.219999999999999 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.439999999999998 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.219999999999999 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 43.299999999999997 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.140000000000001 109.023 172.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.150000000000006 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' HG23 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.219999999999999 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 62.100000000000001 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 71.450000000000003 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.454 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.129999999999995 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.099999999999994 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 61.009999999999998 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 64.319999999999993 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.129999999999995 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 60.229999999999997 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.540000000000006 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 71.010000000000005 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB3' HD11 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.109999999999999 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 73.109999999999999 110.288 -178.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 53.310000000000002 111.496 172.423 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 109.463 -0.569 . . . . 73.25 109.463 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.200000000000003 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 71.540000000000006 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 64.120000000000005 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.140000000000001 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.200000000000003 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.150000000000006 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 53.450000000000003 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 72.409999999999997 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.219999999999999 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.240000000000002 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 41.0 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 52.409999999999997 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.299999999999997 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.209999999999994 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.140000000000001 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 72.230000000000004 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 74.420000000000002 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 73.349999999999994 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.310000000000002 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 44.399999999999999 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.200000000000003 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.510000000000005 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.299999999999997 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 64.319999999999993 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.430000000000007 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.439999999999998 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 52.149999999999999 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.310000000000002 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.439999999999998 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.209999999999994 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.209999999999994 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 64.540000000000006 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 71.219999999999999 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.340000000000003 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.319999999999993 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 63.229999999999997 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.310000000000002 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 65.140000000000001 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 62.130000000000003 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 71.319999999999993 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 64.439999999999998 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.530000000000001 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.120000000000005 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.319999999999993 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 72.329999999999998 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.310000000000002 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 51.509999999999998 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 73.319999999999993 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 64.239999999999995 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 65.129999999999995 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 53.130000000000003 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.229999999999997 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.109999999999999 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 71.340000000000003 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.200000000000003 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.530000000000001 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.310000000000002 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 65.209999999999994 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.200000000000003 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.530000000000001 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 73.450000000000003 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.0 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 51.310000000000002 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.5 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 64.409999999999997 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.310000000000002 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.150000000000006 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.120000000000005 113.27 -173.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 30' ' ' GLU . 10.2 m . . . . . 0 CA--C 1.553 1.089 0 CA-C-O 121.135 0.493 . . . . 75.219999999999999 110.773 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 71.0 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 43.109999999999999 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.099999999999994 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 73.129999999999995 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 23.210000000000001 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.439999999999998 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.349999999999994 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 71.400000000000006 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 62.229999999999997 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 61.039999999999999 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.340000000000003 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 42.409999999999997 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.239999999999995 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 63.409999999999997 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.450000000000003 110.374 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.129999999999995 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.239999999999995 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.439999999999998 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.349999999999994 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.349999999999994 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 73.099999999999994 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 52.439999999999998 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.230000000000004 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 55.399999999999999 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.530000000000001 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 73.209999999999994 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.591 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.230000000000004 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 73.409999999999997 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.530000000000001 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.030000000000001 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.129999999999995 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 71.400000000000006 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.439999999999998 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 71.319999999999993 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 72.400000000000006 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.420000000000002 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.140000000000001 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 73.150000000000006 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 72.340000000000003 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.120000000000005 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.239999999999995 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.140000000000001 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE3' HG21 ' A' ' 31' ' ' VAL . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 62.0 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.099999999999994 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 54.310000000000002 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.319999999999993 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 64.519999999999996 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.430000000000007 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 73.420000000000002 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 44.130000000000003 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 52' ' ' ALA . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 65.349999999999994 109.173 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.140000000000001 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 53.009999999999998 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.607 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 61.509999999999998 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 71.239999999999995 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.299999999999997 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 71.140000000000001 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 25.210000000000001 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.150000000000006 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 73.239999999999995 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 40.130000000000003 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 64.349999999999994 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 61.340000000000003 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.329999999999998 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.510000000000005 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.420000000000002 113.498 -178.306 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.209999999999994 109.089 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 70.420000000000002 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 61.409999999999997 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.586 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 64.319999999999993 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 50.310000000000002 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.510000000000005 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.319999999999993 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.430000000000007 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.209999999999994 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.310000000000002 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 64.310000000000002 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 73.140000000000001 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.319999999999993 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 72.530000000000001 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 63.340000000000003 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 44.130000000000003 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 61.439999999999998 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 45.210000000000001 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 74.219999999999999 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 61.399999999999999 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.510000000000005 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 65.109999999999999 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.020000000000003 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 52.140000000000001 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.120000000000005 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 73.109999999999999 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.329999999999998 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.586 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.140000000000001 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.129999999999995 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.209999999999994 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.32 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.129999999999995 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 50.229999999999997 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.310000000000002 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.439999999999998 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 73.409999999999997 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.519999999999996 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 54.219999999999999 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.299999999999997 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.120000000000005 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 68' ' ' LEU . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.200000000000003 111.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.200000000000003 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.340000000000003 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.310000000000002 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 65.319999999999993 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.319999999999993 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 61.340000000000003 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 61.210000000000001 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 55.030000000000001 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 63.130000000000003 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.209999999999994 112.366 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.4 ' OG1' HG22 ' A' ' 57' ' ' VAL . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 65.340000000000003 111.273 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.129999999999995 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' OG1' ' A' ' 55' ' ' THR . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.329999999999998 110.737 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.310000000000002 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 73.150000000000006 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.099999999999994 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 51.229999999999997 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.129999999999995 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 71.239999999999995 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.349999999999994 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.430000000000007 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.497 ' HB3' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 73.140000000000001 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 72.430000000000007 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 44' ' ' PHE . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.230000000000004 108.92 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.109999999999999 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.450000000000003 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 60.43 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 71.349999999999994 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.209999999999994 110.029 176.358 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 44.509999999999998 109.286 173.304 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m . . . . . 0 CA--C 1.534 0.347 0 N-CA-C 108.953 -0.758 . . . . 63.200000000000003 108.953 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 72.239999999999995 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.129999999999995 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.239999999999995 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 62.399999999999999 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.229999999999997 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 51.509999999999998 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.319999999999993 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 65.150000000000006 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 61.039999999999999 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 63.539999999999999 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 52.130000000000003 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 51.140000000000001 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 64.340000000000003 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 55.420000000000002 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.209999999999994 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 72.310000000000002 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 64.150000000000006 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 71.420000000000002 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 45.329999999999998 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.019999999999996 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 61.340000000000003 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 71.319999999999993 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.030000000000001 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.219999999999999 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 73.140000000000001 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.230000000000004 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 73.510000000000005 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 35.32 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 71.430000000000007 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.310000000000002 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 70.140000000000001 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 65.120000000000005 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 55.030000000000001 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 64.519999999999996 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 65.430000000000007 111.071 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 70.150000000000006 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 72.209999999999994 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.418 ' HD2' HD23 ' A' ' 68' ' ' LEU . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 109.991 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 72.030000000000001 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.030000000000001 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' HD21 ' A' ' 16' ' ' LEU . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.230000000000004 113.627 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 74.129999999999995 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.040000000000006 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.349999999999994 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 61.219999999999999 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.239999999999995 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 60.520000000000003 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.430000000000007 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.549999999999997 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.340000000000003 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 72.239999999999995 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 71.420000000000002 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 61.32 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.329999999999998 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.319999999999993 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.129999999999995 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 61.32 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 61.240000000000002 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 43.149999999999999 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.465 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.439999999999998 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.239999999999995 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 44' ' ' PHE . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.329999999999998 110.616 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 74.120000000000005 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 51.219999999999999 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 65.219999999999999 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.439999999999998 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.510000000000005 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.009999999999998 111.564 171.961 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m . . . . . 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 74.120000000000005 109.79 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.319999999999993 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 54.299999999999997 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.426 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 73.519999999999996 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 54.310000000000002 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.549999999999997 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 65.230000000000004 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.120000000000005 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 34.350000000000001 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.040000000000006 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.530000000000001 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.230000000000004 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 48' ' ' MET . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.240000000000002 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 71.310000000000002 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 54.130000000000003 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 72.530000000000001 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.030000000000001 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.430000000000007 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 63.140000000000001 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.019999999999996 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 72.340000000000003 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.329999999999998 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.230000000000004 110.679 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.319999999999993 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.413 HD21 HD12 ' A' ' 7' ' ' ILE . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.030000000000001 109.0 -171.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.120000000000005 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 62.130000000000003 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 71.420000000000002 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.420000000000002 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.310000000000002 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 65.439999999999998 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 71.140000000000001 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.409999999999997 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 63.130000000000003 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 71.299999999999997 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.239999999999995 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.423 HG21 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.219999999999999 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.030000000000001 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.439999999999998 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 72.299999999999997 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.310000000000002 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 33.329999999999998 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.239999999999995 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.561 ' HG3' HD12 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 65.349999999999994 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.430000000000007 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.430000000000007 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 71.140000000000001 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 70.099999999999994 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.140000000000001 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 72.439999999999998 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.349999999999994 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.420000000000002 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 65.120000000000005 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 64.209999999999994 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 63.329999999999998 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 63.119999999999997 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 53.439999999999998 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 71.540000000000006 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.423 ' HH2' HG21 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.239999999999995 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.430000000000007 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 32.240000000000002 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 71.329999999999998 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 64.109999999999999 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.310000000000002 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.319999999999993 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.561 HD12 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.430000000000007 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.549999999999997 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 52.539999999999999 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.472 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 61.409999999999997 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 53.549999999999997 111.912 -169.407 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m . . . . . 0 CA--C 1.557 1.235 0 CA-C-O 120.778 0.323 . . . . 72.329999999999998 111.296 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 64.129999999999995 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 72.299999999999997 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.441 ' HB ' HG12 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.400000000000006 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 64.439999999999998 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.019999999999996 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 72.120000000000005 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.239999999999995 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 65.150000000000006 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 71.209999999999994 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 60.329999999999998 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 70.409999999999997 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.010000000000005 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 72.099999999999994 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.540000000000006 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.540000000000006 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 54.539999999999999 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.530000000000001 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 63.039999999999999 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 64.439999999999998 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.549999999999997 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 62.549999999999997 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 72.310000000000002 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 70.209999999999994 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.310000000000002 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' HB ' ' A' ' 7' ' ' ILE . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 70.129999999999995 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.530000000000001 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.430000000000007 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 62.039999999999999 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.040000000000006 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 66' ' ' ASN . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 71.019999999999996 110.471 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 65.049999999999997 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.239999999999995 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 72.25 110.056 -176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.530000000000001 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 61.310000000000002 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.209999999999994 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.140000000000001 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 68' ' ' LEU . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.129999999999995 109.72 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.439999999999998 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 62.0 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.450000000000003 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.030000000000001 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 51.229999999999997 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 74.010000000000005 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 64.400000000000006 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 71.439999999999998 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.209999999999994 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 73.420000000000002 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 43.409999999999997 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.310000000000002 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.109999999999999 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 52.530000000000001 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 64.040000000000006 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.549999999999997 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.540000000000006 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.349999999999994 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 72.349999999999994 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 55.240000000000002 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 36' ' ' THR . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 62.140000000000001 109.0 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.120000000000005 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 44' ' ' PHE . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 71.239999999999995 111.031 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.340000000000003 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.140000000000001 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 74.25 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.794 HD11 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 63.340000000000003 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.430000000000007 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 55.229999999999997 114.932 -176.955 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m . . . . . 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 70.099999999999994 108.887 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 62.439999999999998 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.349999999999994 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.562 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 64.540000000000006 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.420000000000002 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 61.420000000000002 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.509999999999998 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 72.329999999999998 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 51.130000000000003 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.239999999999995 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.400000000000006 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 61.420000000000002 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 65.349999999999994 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.219999999999999 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.340000000000003 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.219999999999999 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 61.149999999999999 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 65.310000000000002 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.519999999999996 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.240000000000002 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 52.149999999999999 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 64.319999999999993 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 71.549999999999997 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 62.439999999999998 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.129999999999995 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 65.430000000000007 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.219999999999999 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.209999999999994 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.129999999999995 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.150000000000006 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.340000000000003 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.140000000000001 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 53.340000000000003 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 72.329999999999998 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.420000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 73.0 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.030000000000001 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.540000000000006 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.200000000000003 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 71.150000000000006 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.310000000000002 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 64.340000000000003 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 63.049999999999997 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.319999999999993 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.019999999999996 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.329999999999998 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.140000000000001 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 70.040000000000006 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.140000000000001 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 65.219999999999999 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 61.229999999999997 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 71.140000000000001 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.219999999999999 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.42 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.120000000000005 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 71.140000000000001 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.540000000000006 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 70.510000000000005 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.319999999999993 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.150000000000006 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 65.230000000000004 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.200000000000003 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 65.439999999999998 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 62.509999999999998 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.310000000000002 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.329999999999998 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.420000000000002 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.310000000000002 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.349999999999994 114.399 -163.492 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.553 1.068 0 CA-C-O 120.478 0.18 . . . . 73.329999999999998 111.145 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.099999999999994 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 71.299999999999997 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 64.349999999999994 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.239999999999995 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . 0.449 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 65.310000000000002 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 63.549999999999997 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 50.409999999999997 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.219999999999999 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 64.540000000000006 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.239999999999995 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.439999999999998 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.409999999999997 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 71.140000000000001 110.091 177.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.549999999999997 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 71.349999999999994 111.421 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.349999999999994 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.499 HG23 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.040000000000006 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.230000000000004 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.420000000000002 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.430000000000007 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.319999999999993 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 70.109999999999999 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.340000000000003 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.420000000000002 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.120000000000005 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.510000000000005 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.399999999999999 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.109999999999999 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.049999999999997 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.030000000000001 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.140000000000001 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 73.239999999999995 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.400000000000006 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.140000000000001 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.519999999999996 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 51.539999999999999 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.439999999999998 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.540000000000006 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.329999999999998 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.149999999999999 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.030000000000001 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 74.510000000000005 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 44.219999999999999 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 61.420000000000002 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.299999999999997 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 73.109999999999999 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.209999999999994 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 64.319999999999993 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.209999999999994 109.954 175.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.340000000000003 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.501 HD12 ' HZ3' ' A' ' 61' ' ' LYS . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.120000000000005 109.261 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 73.310000000000002 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HZ3' HD12 ' A' ' 59' ' ' ILE . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 74.340000000000003 108.349 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.140000000000001 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 71.340000000000003 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.329999999999998 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.010000000000005 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.310000000000002 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.120000000000005 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 64.109999999999999 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.510000000000005 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.129999999999995 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 71.409999999999997 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.637 HD12 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.019999999999996 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 72.439999999999998 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 65.200000000000003 113.158 179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m . . . . . 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.219999999999999 108.335 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 65.120000000000005 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 43.340000000000003 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.349999999999994 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.040000000000006 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 74.109999999999999 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.129999999999995 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 13' ' ' GLU . 7.6 t30 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 44.210000000000001 108.029 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.209999999999994 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 11' ' ' ASN . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 63.109999999999999 111.076 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HG2' HD22 ' A' ' 11' ' ' ASN . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.409999999999997 110.776 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 72.319999999999993 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.120000000000005 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.329999999999998 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 62.030000000000001 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 33.119999999999997 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 64.439999999999998 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 73.120000000000005 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 62.420000000000002 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.530000000000001 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.230000000000004 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 62.119999999999997 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.030000000000001 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.430000000000007 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 62.530000000000001 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 70.310000000000002 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.319999999999993 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.420000000000002 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.420000000000002 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.150000000000006 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.409999999999997 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 52.130000000000003 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 72.239999999999995 112.974 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 61.310000000000002 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.540000000000006 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 71.239999999999995 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 74.099999999999994 111.837 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.209999999999994 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 68' ' ' LEU . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.129999999999995 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.430000000000007 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 63.32 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 72.230000000000004 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.450000000000003 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.609 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 53.049999999999997 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 32.119999999999997 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 52.350000000000001 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 55.509999999999998 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 73.430000000000007 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 74.299999999999997 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.520000000000003 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 53.5 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.622 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 61.32 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 63.549999999999997 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.040000000000006 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.450000000000003 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 52.340000000000003 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.439999999999998 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.530000000000001 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.040000000000006 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.319999999999993 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.329999999999998 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 71.409999999999997 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 65.310000000000002 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.329999999999998 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 73.129999999999995 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.349999999999994 107.836 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 63.219999999999999 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.019999999999996 112.095 -171.342 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m . . . . . 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.430000000000007 107.697 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.099999999999994 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.310000000000002 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.413 ' HB ' HG12 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 63.200000000000003 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 60.329999999999998 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.420000000000002 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.239999999999995 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 65.540000000000006 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 63.340000000000003 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.120000000000005 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 71.150000000000006 110.127 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 63.119999999999997 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.010000000000005 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 55.409999999999997 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 62.310000000000002 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.420000000000002 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.439999999999998 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 71.109999999999999 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 51.520000000000003 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 63.009999999999998 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.109999999999999 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.230000000000004 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.439999999999998 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 73.349999999999994 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 63.119999999999997 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.329999999999998 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.433 HG21 ' HE3' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 51.420000000000002 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 72.349999999999994 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.349999999999994 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.439999999999998 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.049999999999997 110.468 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.140000000000001 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.409999999999997 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 71.319999999999993 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.439999999999998 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 63.5 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 63.109999999999999 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.540000000000006 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 73.409999999999997 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 72.140000000000001 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.519999999999996 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HB3' HD21 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.129999999999995 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE3' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.329999999999998 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 60.210000000000001 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 72.120000000000005 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.439999999999998 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 71.430000000000007 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.329999999999998 112.825 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' OG1' HG22 ' A' ' 57' ' ' VAL . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.439999999999998 111.845 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 34.329999999999998 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 ' OG1' ' A' ' 55' ' ' THR . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.109999999999999 110.403 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 45.32 108.415 174.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 HD13 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.400000000000006 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 73.420000000000002 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.310000000000002 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 71.150000000000006 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.219999999999999 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.230000000000004 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 60.439999999999998 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 36' ' ' THR . 5.4 t30 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.510000000000005 112.08 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.430000000000007 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 62.240000000000002 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 65.319999999999993 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 72.129999999999995 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.519999999999996 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 65.329999999999998 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.420000000000002 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.030000000000001 113.476 -175.571 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m . . . . . 0 CA--C 1.543 0.709 0 N-CA-C 109.316 -0.624 . . . . 51.350000000000001 109.316 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.430000000000007 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.310000000000002 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.512 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.430000000000007 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 63.109999999999999 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.310000000000002 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 64.430000000000007 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.200000000000003 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.430000000000007 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.200000000000003 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 64.400000000000006 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.219999999999999 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 72.439999999999998 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 63.539999999999999 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 55.140000000000001 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.409999999999997 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.310000000000002 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.209999999999994 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 71.200000000000003 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.512 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 62.450000000000003 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 43.100000000000001 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 54.109999999999999 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.200000000000003 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 55.25 108.903 179.401 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.530000000000001 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 71.049999999999997 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 41.549999999999997 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.512 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.240000000000002 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.430000000000007 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 44.119999999999997 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.518 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.439999999999998 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 64.129999999999995 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 64.219999999999999 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.439999999999998 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.450000000000003 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.200000000000003 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 72.409999999999997 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.507 HD13 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 62.409999999999997 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.430000000000007 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.219999999999999 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 63.119999999999997 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.340000000000003 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.049999999999997 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 73.040000000000006 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.427 ' HE3' HG21 ' A' ' 31' ' ' VAL . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.340000000000003 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 53.109999999999999 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 72.129999999999995 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.400000000000006 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.209999999999994 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.129999999999995 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 71.109999999999999 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.512 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 61.25 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.319999999999993 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 54.240000000000002 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . 0.498 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.120000000000005 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 70.340000000000003 110.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 61.409999999999997 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.140000000000001 108.69 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.310000000000002 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.507 ' HH2' HD13 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.0 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.010000000000005 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 43.409999999999997 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.239999999999995 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.129999999999995 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 63.530000000000001 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 72.549999999999997 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.129999999999995 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.409999999999997 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.340000000000003 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.349999999999994 114.634 -169.079 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m . . . . . 0 CA--C 1.549 0.904 0 CA-C-O 121.539 0.685 . . . . 72.040000000000006 109.816 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.439999999999998 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.140000000000001 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.431 ' HB ' HG12 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.319999999999993 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 71.109999999999999 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.200000000000003 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 73.319999999999993 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 60.219999999999999 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 54.32 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.439999999999998 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.120000000000005 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.439999999999998 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.150000000000006 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.140000000000001 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 63.310000000000002 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 71.030000000000001 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 70.540000000000006 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 53.0 110.761 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 71.150000000000006 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 64.540000000000006 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.140000000000001 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.219999999999999 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.230000000000004 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.209999999999994 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 72.200000000000003 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 51.409999999999997 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.530000000000001 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 62.32 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.340000000000003 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.420000000000002 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 64.340000000000003 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.329999999999998 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 71.420000000000002 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 64.219999999999999 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.230000000000004 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.530000000000001 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 72.150000000000006 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 73.200000000000003 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.421 ' HD2' HD23 ' A' ' 68' ' ' LEU . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 63.119999999999997 111.029 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.349999999999994 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 73.430000000000007 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' A' ' 16' ' ' LEU . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.439999999999998 112.708 175.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.41 ' HE3' HG21 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 73.450000000000003 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 64.129999999999995 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.299999999999997 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 72.439999999999998 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.420000000000002 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 74.120000000000005 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 71.549999999999997 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 72.099999999999994 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 61.219999999999999 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 62.43 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.310000000000002 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 44.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 43.240000000000002 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 72.040000000000006 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.439999999999998 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.030000000000001 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.349999999999994 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.219999999999999 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 54.329999999999998 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 ' HD2' ' A' ' 44' ' ' PHE . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.239999999999995 109.152 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.310000000000002 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 73.319999999999993 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 61.009999999999998 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.040000000000006 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . . . . . . 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 71.319999999999993 112.056 179.291 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.24 0.575 0 CA-C-O 121.983 0.897 . . . . 71.019999999999996 108.632 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.540000000000006 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.340000000000003 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.45 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 71.230000000000004 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 63.119999999999997 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 62.119999999999997 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.520000000000003 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 52.439999999999998 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 72.230000000000004 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.209999999999994 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.240000000000002 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.409999999999997 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 60.329999999999998 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 73.129999999999995 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 43.329999999999998 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.040000000000006 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.120000000000005 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 71.140000000000001 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.340000000000003 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.329999999999998 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.439999999999998 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 44.310000000000002 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 63.119999999999997 109.69 176.001 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.239999999999995 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 64.030000000000001 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 61.109999999999999 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.45 HG12 ' HB ' ' A' ' 7' ' ' ILE . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 51.049999999999997 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.430000000000007 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.409999999999997 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.340000000000003 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.310000000000002 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 42.25 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 63.210000000000001 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.030000000000001 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.25 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.099999999999994 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.200000000000003 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 72.239999999999995 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.340000000000003 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 48' ' ' MET . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.420000000000002 109.326 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 64.219999999999999 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 73.25 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 64.349999999999994 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.209999999999994 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.510000000000005 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.140000000000001 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.120000000000005 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 53.329999999999998 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.319999999999993 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.329999999999998 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.120000000000005 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 71.400000000000006 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.409999999999997 110.795 -179.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.400000000000006 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 73.239999999999995 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.340000000000003 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 63.149999999999999 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.530000000000001 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.030000000000001 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 61.240000000000002 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 44' ' ' PHE . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 72.120000000000005 110.106 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 60.530000000000001 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 64.430000000000007 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.209999999999994 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 70.439999999999998 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 53.409999999999997 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.209999999999994 111.753 -179.609 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ptm . . . . . 0 N--CA 1.48 1.071 0 N-CA-C 109.985 -0.376 . . . . 73.239999999999995 109.985 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 148.82 155.86 6.89 Favored Glycine 0 C--N 1.335 0.506 0 N-CA-C 111.057 -0.817 . . . . 62.32 111.057 179.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.4 mp -90.86 108.03 19.58 Favored 'General case' 0 C--O 1.24 0.576 0 N-CA-C 108.074 -1.084 . . . . 72.310000000000002 108.074 177.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.6 m -68.93 81.4 0.3 Allowed 'General case' 0 CA--C 1.547 0.827 0 CA-C-O 121.587 0.708 . . . . 65.150000000000006 109.68 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.7 ptp180 -66.15 158.22 29.21 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 114.632 -1.167 . . . . 74.200000000000003 111.312 179.818 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.3 m -116.55 105.42 12.44 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 108.351 -0.981 . . . . 72.209999999999994 108.351 -177.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.515 ' HB ' HG12 ' A' ' 31' ' ' VAL . 58.4 mt -98.39 112.88 31.55 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.529 0 C-N-CA 123.849 0.86 . . . . 61.420000000000002 108.695 -179.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.556 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.0 p -104.95 108.15 19.51 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 107.901 -1.148 . . . . 75.329999999999998 107.901 178.295 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.1 t -134.1 147.79 50.91 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 123.104 0.562 . . . . 73.109999999999999 110.232 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.451 ' HG2' ' HB3' ' A' ' 34' ' ' ASP . 39.3 mt-30 -89.11 -0.39 57.4 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 115.023 -0.989 . . . . 64.510000000000005 110.325 178.753 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -114.13 114.46 26.09 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 124.431 1.092 . . . . 70.25 108.465 173.738 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.543 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -75.09 -24.6 58.14 Favored 'General case' 0 N--CA 1.477 0.878 0 N-CA-C 112.363 0.505 . . . . 75.530000000000001 112.363 179.62 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -63.78 -49.63 72.19 Favored 'General case' 0 N--CA 1.483 1.202 0 C-N-CA 122.8 0.44 . . . . 71.120000000000005 111.84 -173.033 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -58.05 -36.11 72.29 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 115.553 -0.749 . . . . 70.430000000000007 110.211 175.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.2 mt -65.93 -30.79 71.43 Favored 'General case' 0 C--N 1.356 0.856 0 C-N-CA 123.17 0.588 . . . . 75.5 110.203 -178.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 45.1 mt -72.28 -44.67 62.44 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.453 0.701 . . . . 75.25 109.854 -179.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -66.01 -48.04 72.48 Favored 'General case' 0 N--CA 1.482 1.125 0 CA-C-N 115.53 -0.759 . . . . 74.019999999999996 111.761 179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 71.7 mt -63.36 -34.05 64.85 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.204 0 C-N-CA 123.75 0.82 . . . . 72.140000000000001 109.937 177.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.428 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.21 -58.8 6.87 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.509 0.724 . . . . 51.229999999999997 110.335 174.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.0 tp -54.95 -37.84 66.98 Favored 'General case' 0 N--CA 1.474 0.773 0 O-C-N 124.347 1.029 . . . . 62.030000000000001 111.003 -179.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmm -56.51 -50.57 71.4 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.787 0.835 . . . . 72.040000000000006 110.897 175.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -70.76 -45.81 64.07 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 122.7 0.4 . . . . 73.010000000000005 110.562 -174.494 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.419 HG12 ' O ' ' A' ' 19' ' ' ALA . 37.3 mm -69.36 -38.0 76.52 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.761 0 N-CA-C 109.594 -0.521 . . . . 53.119999999999997 109.594 -172.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -58.83 -37.37 76.28 Favored 'General case' 0 N--CA 1.486 1.345 0 C-N-CA 123.778 0.831 . . . . 73.200000000000003 111.5 176.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -75.05 -25.61 58.79 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 123.265 0.626 . . . . 61.530000000000001 111.138 175.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 97.04 34.87 5.51 Favored Glycine 0 C--N 1.348 1.214 0 N-CA-C 112.002 -0.439 . . . . 32.119999999999997 112.002 -177.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 53.4 mt -110.87 150.97 28.4 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.528 1.131 . . . . 71.209999999999994 109.642 -176.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -89.56 139.33 30.65 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 108.134 -1.061 . . . . 73.409999999999997 108.134 172.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.428 HD23 ' HA ' ' A' ' 19' ' ' ALA . 59.5 tp -134.67 144.75 48.0 Favored 'General case' 0 N--CA 1.476 0.862 0 N-CA-C 108.175 -1.046 . . . . 53.409999999999997 108.175 -177.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.3 tt0 -122.04 123.98 42.89 Favored 'General case' 0 CA--C 1.53 0.194 0 N-CA-C 108.436 -0.949 . . . . 73.319999999999993 108.436 173.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.515 HG12 ' HB ' ' A' ' 7' ' ' ILE . 12.7 m -126.32 151.04 32.37 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 123.68 0.792 . . . . 74.25 109.501 177.068 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.556 ' HB3' HG22 ' A' ' 8' ' ' THR . 38.0 tt0 -134.12 122.55 23.06 Favored 'General case' 0 C--O 1.239 0.523 0 N-CA-C 107.933 -1.136 . . . . 64.409999999999997 107.933 175.778 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -86.23 110.3 19.51 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 109.133 -0.691 . . . . 73.129999999999995 109.133 177.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 19.9 t70 -87.12 81.79 7.91 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 123.558 0.743 . . . . 71.239999999999995 109.772 -178.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 38.3 t -163.3 153.41 15.7 Favored 'General case' 0 N--CA 1.471 0.591 0 C-N-CA 124.071 0.948 . . . . 74.0 109.833 175.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 24.3 p -114.36 20.1 15.73 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.244 1.017 . . . . 61.340000000000003 110.27 177.539 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -93.39 109.95 21.51 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 109.094 -0.706 . . . . 71.420000000000002 109.094 177.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 5.9 m-20 -50.08 -42.54 50.23 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 124.112 0.965 . . . . 71.439999999999998 113.201 -177.684 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 58.7 mtpt -64.6 -44.15 91.54 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.306 0.642 . . . . 74.129999999999995 111.707 -174.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.9 mm-40 -67.78 -38.63 83.63 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-N 115.791 -0.64 . . . . 75.209999999999994 110.663 177.467 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.403 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 99.0 mt -63.86 -37.87 80.86 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 123.571 0.749 . . . . 74.450000000000003 110.349 176.805 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 68.2 mm-40 -56.05 -48.94 75.08 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.331 0.652 . . . . 63.539999999999999 110.118 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -64.21 -38.54 91.43 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 114.924 -1.035 . . . . 55.340000000000003 111.228 -179.147 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -62.78 -50.71 69.95 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 123.772 0.67 . . . . 75.120000000000005 109.964 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.1 mt-10 -58.34 -63.15 1.37 Allowed 'General case' 0 C--N 1.349 0.556 0 C-N-CA 123.737 0.815 . . . . 61.420000000000002 111.372 179.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -59.07 -37.75 77.82 Favored 'General case' 0 C--N 1.348 0.511 0 O-C-N 124.041 0.838 . . . . 73.239999999999995 112.026 -170.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -72.9 -36.62 67.35 Favored 'General case' 0 CA--C 1.547 0.856 0 N-CA-C 112.36 0.504 . . . . 73.310000000000002 112.36 178.215 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 21.8 mmt -68.87 -39.55 79.78 Favored 'General case' 0 N--CA 1.491 1.593 0 CA-C-N 118.294 0.497 . . . . 51.509999999999998 111.0 176.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -64.28 -43.2 95.54 Favored 'General case' 0 N--CA 1.467 0.419 0 C-N-CA 123.888 0.875 . . . . 53.329999999999998 109.948 173.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.5 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 39.2 t70 -64.07 -41.06 97.47 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.428 0.691 . . . . 64.239999999999995 110.032 -178.654 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -58.77 -51.21 70.94 Favored 'General case' 0 C--N 1.344 0.346 0 O-C-N 124.303 1.002 . . . . 62.399999999999999 109.896 175.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.407 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -56.49 -42.14 77.82 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 124.157 0.911 . . . . 72.230000000000004 112.004 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.5 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 38.3 mtpt -60.41 -57.57 12.21 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 124.091 0.957 . . . . 60.229999999999997 110.701 176.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 45.8 mtmt -60.13 -32.05 70.65 Favored 'General case' 0 N--CA 1.481 1.122 0 C-N-CA 123.851 0.861 . . . . 64.430000000000007 112.095 -176.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.5 p -94.92 -12.81 26.14 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 123.018 0.527 . . . . 72.329999999999998 111.853 -178.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.45 21.53 77.25 Favored Glycine 0 C--N 1.348 1.207 0 CA-C-O 119.961 -0.355 . . . . 54.420000000000002 113.824 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' HA ' ' A' ' 52' ' ' ALA . 7.9 m -104.95 174.19 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.334 0 CA-C-N 117.417 0.609 . . . . 74.010000000000005 109.89 178.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.481 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.2 mt-30 -110.96 169.27 8.88 Favored 'General case' 0 N--CA 1.485 1.281 0 C-N-CA 122.975 0.51 . . . . 72.329999999999998 110.473 175.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 23.0 pt -124.14 171.79 12.55 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 123.472 0.709 . . . . 72.129999999999995 110.282 176.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.517 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 23.4 tp60 -135.46 101.11 4.7 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 108.105 -1.072 . . . . 72.310000000000002 108.105 175.203 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -85.04 128.29 34.57 Favored 'General case' 0 N--CA 1.476 0.871 0 N-CA-C 109.576 -0.527 . . . . 72.430000000000007 109.576 175.469 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -138.8 121.16 15.98 Favored 'General case' 0 N--CA 1.465 0.307 0 C-N-CA 124.059 0.944 . . . . 71.120000000000005 108.639 175.437 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.1 m95 -85.74 111.28 19.98 Favored 'General case' 0 CA--C 1.537 0.469 0 N-CA-C 109.49 -0.559 . . . . 74.420000000000002 109.49 176.209 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -100.6 97.46 8.15 Favored 'General case' 0 C--O 1.238 0.493 0 N-CA-C 106.684 -1.598 . . . . 73.409999999999997 106.684 -179.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.53 -74.68 0.88 Allowed Glycine 0 C--N 1.344 0.974 0 N-CA-C 111.41 -0.676 . . . . 51.420000000000002 111.41 -172.656 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.2 t30 -162.84 24.91 0.09 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 124.156 0.982 . . . . 71.25 108.517 174.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 33.4 mmtp -117.28 120.12 37.26 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 107.032 -1.47 . . . . 74.209999999999994 107.032 -177.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 57.5 tp -85.95 108.35 18.15 Favored 'General case' 0 CA--C 1.535 0.399 0 CA-C-O 121.233 0.54 . . . . 61.229999999999997 110.741 -168.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.482 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.7 ttm180 -92.82 115.35 28.03 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 124.109 0.963 . . . . 41.119999999999997 109.803 174.232 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 47.0 mt -111.84 116.96 53.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 N-CA-C 108.862 -0.792 . . . . 53.409999999999997 108.862 176.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.517 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 41.0 ttm180 -95.45 120.85 36.4 Favored 'General case' 0 CA--C 1.541 0.625 0 N-CA-C 108.632 -0.877 . . . . 63.409999999999997 108.632 173.199 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 30.3 mt -98.32 132.1 44.08 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 125.21 1.404 . . . . 73.010000000000005 108.418 -178.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.481 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.3 ptpt -110.48 81.58 1.46 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 122.32 1.057 . . . . 73.030000000000001 111.317 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.48 -40.11 76.37 Favored Glycine 0 N--CA 1.471 0.977 0 CA-C-N 113.998 -1.456 . . . . 54.329999999999998 112.983 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 55.0 p -106.37 87.55 2.57 Favored 'General case' 0 C--O 1.243 0.734 0 N-CA-C 108.756 -0.831 . . . . 70.109999999999999 108.756 172.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.465 HD22 ' HG3' ' A' ' 77' ' ' GLU . 1.6 tt -71.51 -75.29 0.13 Allowed 'General case' 0 CA--C 1.556 1.201 0 N-CA-C 108.314 -0.995 . . . . 74.530000000000001 108.314 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.465 ' HG3' HD22 ' A' ' 76' ' ' LEU . 0.0 OUTLIER -150.19 -106.06 0.07 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.634 0.774 . . . . 72.340000000000003 110.473 171.25 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -132.13 -10.77 3.34 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 113.442 0.905 . . . . 74.420000000000002 113.442 -168.653 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.1 p-80 -67.16 118.7 10.93 Favored 'General case' 0 N--CA 1.485 1.277 0 CA-C-N 118.829 0.741 . . . . 61.509999999999998 110.376 -171.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 95.2 m-70 -94.96 4.74 53.46 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.348 0.659 . . . . 53.409999999999997 110.492 -179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -59.73 127.82 33.9 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 108.772 -0.825 . . . . 61.25 108.772 171.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 46.7 t-80 -40.22 -47.28 2.41 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 125.263 1.425 . . . . 72.409999999999997 112.419 -173.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 14.6 t-80 . . . . . 0 CA--C 1.556 1.181 0 N-CA-C 107.753 -1.203 . . . . 74.430000000000007 107.753 173.846 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.425 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.2 pmm? . . . . . 0 N--CA 1.487 1.383 0 CA-C-O 120.928 0.394 . . . . 72.329999999999998 110.205 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.68 66.85 3.68 Favored Glycine 0 C--N 1.349 1.296 0 CA-C-N 115.877 -0.602 . . . . 72.140000000000001 113.069 -176.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -84.32 122.54 29.05 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 123.594 0.758 . . . . 65.030000000000001 110.741 177.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 25.9 m -82.56 70.87 9.61 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-O 121.972 0.891 . . . . 71.099999999999994 108.935 175.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 32.1 ptt180 -68.19 165.43 18.34 Favored 'General case' 0 CA--C 1.543 0.703 0 CA-C-N 114.201 -1.363 . . . . 74.230000000000004 111.482 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 91.2 m -107.93 120.37 42.11 Favored 'General case' 0 C--O 1.238 0.488 0 C-N-CA 123.604 0.762 . . . . 65.099999999999994 109.427 179.089 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.424 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.7 mt -107.57 102.62 14.24 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.673 0 N-CA-C 108.99 -0.744 . . . . 73.510000000000005 108.99 178.75 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.471 HG22 ' HB3' ' A' ' 32' ' ' GLU . 36.6 p -96.23 104.38 16.34 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 108.644 -0.872 . . . . 73.420000000000002 108.644 -178.857 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.2 t -136.73 144.42 43.83 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 123.023 0.529 . . . . 55.340000000000003 110.622 -175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.409 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 79.6 mt-30 -89.49 -4.42 57.94 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 124.24 1.016 . . . . 74.129999999999995 110.729 174.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -106.58 110.17 22.3 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.538 -0.912 . . . . 64.430000000000007 108.538 175.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.462 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.1 pptp? -79.04 -18.99 52.54 Favored 'General case' 0 CA--C 1.544 0.744 0 N-CA-C 112.57 0.582 . . . . 74.319999999999993 112.57 -177.411 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -58.65 -57.11 14.43 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 123.371 0.668 . . . . 73.439999999999998 110.222 175.18 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -63.79 -27.98 69.56 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.528 -0.76 . . . . 73.219999999999999 111.411 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.5 mt -64.73 -35.67 81.81 Favored 'General case' 0 CA--C 1.541 0.607 0 O-C-N 123.344 0.403 . . . . 72.400000000000006 110.636 176.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 64.2 mt -73.12 -41.5 63.93 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.386 0.674 . . . . 54.340000000000003 110.633 179.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -64.24 -54.48 32.81 Favored 'General case' 0 N--CA 1.478 0.932 0 CA-C-N 115.433 -0.803 . . . . 64.140000000000001 111.605 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 52.8 mt -69.32 -26.66 32.08 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.259 0 C-N-CA 123.411 0.685 . . . . 64.049999999999997 110.073 -178.315 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.477 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -58.08 -60.39 3.82 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 122.652 0.381 . . . . 71.0 110.767 169.721 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 62.5 tp -57.24 -31.39 65.48 Favored 'General case' 0 N--CA 1.476 0.868 0 O-C-N 124.324 1.015 . . . . 54.420000000000002 111.088 -179.176 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -61.89 -45.99 91.34 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 123.633 0.773 . . . . 63.020000000000003 111.324 176.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -72.89 -38.95 66.77 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 122.871 0.469 . . . . 74.549999999999997 110.666 -179.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.477 HG12 ' O ' ' A' ' 19' ' ' ALA . 31.3 mm -70.95 -33.8 53.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.98 0 N-CA-C 109.583 -0.525 . . . . 73.430000000000007 109.583 -177.219 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -66.66 -22.74 66.09 Favored 'General case' 0 N--CA 1.487 1.386 0 C-N-CA 124.069 0.948 . . . . 73.510000000000005 111.905 176.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.7 mt-30 -89.79 -12.64 38.65 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.654 0.782 . . . . 60.109999999999999 111.201 173.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.08 48.29 20.65 Favored Glycine 0 C--N 1.345 1.04 0 N-CA-C 111.072 -0.811 . . . . 70.219999999999999 111.072 -173.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 80.2 mt -120.46 138.06 54.01 Favored 'General case' 0 C--O 1.244 0.784 0 C-N-CA 124.098 0.959 . . . . 64.230000000000004 109.804 179.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.54 139.15 47.37 Favored 'General case' 0 C--O 1.239 0.527 0 N-CA-C 108.91 -0.774 . . . . 54.100000000000001 108.91 169.09 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 69.3 tp -140.68 143.57 35.17 Favored 'General case' 0 C--O 1.218 -0.588 0 N-CA-C 107.961 -1.125 . . . . 74.239999999999995 107.961 -177.526 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.7 tt0 -122.98 117.68 26.05 Favored 'General case' 0 N--CA 1.469 0.506 0 N-CA-C 108.683 -0.858 . . . . 75.349999999999994 108.683 175.393 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.424 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.8 m -105.58 145.15 14.05 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.759 -0.83 . . . . 73.120000000000005 108.759 177.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.572 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 36.7 tt0 -119.31 113.95 21.62 Favored 'General case' 0 C--O 1.24 0.592 0 N-CA-C 108.229 -1.026 . . . . 75.120000000000005 108.229 171.658 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -83.03 105.87 14.38 Favored 'General case' 0 C--O 1.241 0.652 0 N-CA-C 108.237 -1.023 . . . . 75.129999999999995 108.237 176.659 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.409 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 28.0 t70 -83.7 80.42 9.13 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.13 -0.941 . . . . 62.009999999999998 109.748 -176.681 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -168.36 141.77 3.13 Favored 'General case' 0 N--CA 1.469 0.478 0 C-N-CA 124.154 0.982 . . . . 72.129999999999995 109.559 177.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 21.7 p -105.3 13.39 30.51 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.003 0.921 . . . . 75.109999999999999 110.838 173.6 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -79.45 115.14 18.91 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 109.226 -0.657 . . . . 63.100000000000001 109.226 -178.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.479 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 11.2 m-20 -46.39 -45.53 17.92 Favored 'General case' 0 N--CA 1.483 1.21 0 O-C-N 125.027 1.454 . . . . 74.0 113.313 -178.374 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.409 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 47.2 mtpt -66.39 -50.6 62.91 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 124.034 0.934 . . . . 73.030000000000001 110.301 -172.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -63.82 -36.07 82.68 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.94 -1.027 . . . . 61.340000000000003 112.419 -179.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.615 HG23 HD22 ' A' ' 68' ' ' LEU . 79.5 mt -66.84 -40.93 86.98 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.87 0 C-N-CA 123.634 0.773 . . . . 41.030000000000001 110.65 176.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 51.2 mm-40 -60.12 -45.56 92.57 Favored 'General case' 0 N--CA 1.486 1.373 0 C-N-CA 122.768 0.427 . . . . 75.120000000000005 110.805 177.631 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.409 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 6.7 mm-40 -64.04 -39.51 94.26 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.339 -0.846 . . . . 72.439999999999998 111.369 178.318 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.555 ' HD2' HD23 ' A' ' 68' ' ' LEU . 39.1 t80 -68.14 -41.42 81.64 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-N 115.92 -0.582 . . . . 71.439999999999998 110.262 -176.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.6 mt-10 -61.43 -56.5 19.52 Favored 'General case' 0 N--CA 1.469 0.515 0 C-N-CA 123.894 0.877 . . . . 74.209999999999994 111.12 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 15.3 ptt180 -57.28 -43.34 83.02 Favored 'General case' 0 C--N 1.356 0.85 0 O-C-N 124.043 0.84 . . . . 72.519999999999996 110.831 -174.069 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.44 -31.35 60.29 Favored 'General case' 0 CA--C 1.545 0.787 0 N-CA-C 113.691 0.997 . . . . 60.140000000000001 113.691 -178.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.461 ' HE2' ' CE1' ' A' ' 44' ' ' PHE . 15.1 mmt -72.72 -38.73 67.36 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-N 119.028 0.831 . . . . 74.409999999999997 110.974 175.785 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -66.43 -46.14 77.5 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.623 -0.717 . . . . 74.340000000000003 110.05 173.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.8 t70 -60.0 -44.41 94.55 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 124.348 1.059 . . . . 74.340000000000003 110.34 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 51.4 tp -58.89 -45.52 90.04 Favored 'General case' 0 C--N 1.349 0.575 0 O-C-N 124.381 1.05 . . . . 52.310000000000002 109.957 175.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.98 -44.0 94.77 Favored 'General case' 0 N--CA 1.472 0.654 0 O-C-N 123.936 0.773 . . . . 71.420000000000002 112.265 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -52.27 65.61 Favored 'General case' 0 CA--C 1.55 0.959 0 N-CA-C 110.541 -0.17 . . . . 71.140000000000001 110.541 174.567 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 50.9 mtmt -61.06 -32.44 72.08 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.64 0.776 . . . . 74.150000000000006 112.568 -176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.6 p -97.97 -7.17 30.57 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.198 0.599 . . . . 73.040000000000006 111.817 -178.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 74.79 27.32 65.12 Favored Glycine 0 C--N 1.354 1.583 0 N-CA-C 114.092 0.397 . . . . 55.520000000000003 114.092 177.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 26.4 m -116.96 -178.9 1.31 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.694 0.798 . . . . 64.519999999999996 110.287 175.057 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 3.6 pt20 -132.4 159.74 38.39 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.328 0.651 . . . . 70.219999999999999 110.13 172.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.1 pt -113.7 174.65 2.54 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.85 0 C-N-CA 123.318 0.647 . . . . 54.32 110.812 -174.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.9 tp-100 -141.49 101.92 4.09 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 108.772 -0.825 . . . . 72.010000000000005 108.772 175.238 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 96.3 mttt -77.25 118.57 19.89 Favored 'General case' 0 N--CA 1.472 0.673 0 C-N-CA 123.354 0.662 . . . . 61.409999999999997 109.619 179.363 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.5 tp60 -123.75 110.33 14.79 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.863 0.865 . . . . 74.140000000000001 109.083 176.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 75.4 m95 -73.94 99.71 3.34 Favored 'General case' 0 C--O 1.238 0.481 0 N-CA-C 109.25 -0.648 . . . . 73.329999999999998 109.25 173.718 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -102.32 99.9 10.02 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 108.425 -0.954 . . . . 75.519999999999996 108.425 178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 65.14 45.6 91.06 Favored Glycine 0 N--CA 1.477 1.401 0 O-C-N 123.613 0.57 . . . . 74.010000000000005 113.006 -178.627 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 19.1 m120 62.4 16.22 8.41 Favored 'General case' 0 N--CA 1.492 1.658 0 C-N-CA 124.754 1.222 . . . . 71.109999999999999 112.979 -175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -110.96 131.49 55.0 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 107.316 -1.364 . . . . 75.430000000000007 107.316 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.615 HD22 HG23 ' A' ' 41' ' ' ILE . 56.8 tp -83.12 89.38 6.93 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-O 121.783 0.802 . . . . 70.109999999999999 110.141 -172.021 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.572 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 33.0 ttt85 -89.92 107.19 18.96 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 114.931 -1.031 . . . . 75.450000000000003 108.921 178.004 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 33.3 mt -106.1 125.81 61.67 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.543 0 N-CA-C 109.006 -0.738 . . . . 75.420000000000002 109.006 -175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 48.5 ttt-85 -95.01 123.7 38.64 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.873 -0.788 . . . . 72.340000000000003 108.873 175.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 24.3 mt -102.81 143.56 32.27 Favored 'General case' 0 C--N 1.318 -0.779 0 C-N-CA 125.054 1.341 . . . . 65.099999999999994 108.573 179.058 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.477 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -109.03 145.5 35.48 Favored 'General case' 0 N--CA 1.474 0.763 0 N-CA-C 109.258 -0.645 . . . . 65.010000000000005 109.258 169.057 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -89.12 -30.75 13.34 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.847 -0.901 . . . . 72.329999999999998 110.847 177.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 44.3 m -122.46 117.69 26.56 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 123.999 0.92 . . . . 55.409999999999997 109.104 176.422 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.477 ' HG ' ' HD2' ' A' ' 73' ' ' LYS . 1.4 tt -84.03 126.32 32.94 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.31 -0.996 . . . . 74.319999999999993 108.31 174.712 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -59.1 125.44 23.63 Favored 'General case' 0 CA--C 1.553 1.075 0 C-N-CA 124.99 1.316 . . . . 63.25 110.637 173.697 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -118.05 88.05 2.84 Favored 'General case' 0 N--CA 1.482 1.136 0 O-C-N 121.741 -0.6 . . . . 75.209999999999994 111.145 -178.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 -73.35 130.26 39.78 Favored 'General case' 0 C--O 1.241 0.64 0 N-CA-C 107.595 -1.261 . . . . 62.420000000000002 107.595 165.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 96.3 m-70 -67.76 97.01 0.6 Allowed 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.559 0.537 . . . . 65.310000000000002 110.733 -175.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 43.4 t-80 -148.97 96.07 2.5 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.186 0.994 . . . . 71.239999999999995 109.623 -175.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 52.2 t-80 -149.96 112.9 4.83 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.83 0.852 . . . . 74.030000000000001 109.621 177.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 . . . . . 0 C--O 1.256 1.4 0 C-N-CA 123.581 0.752 . . . . 62.299999999999997 109.045 175.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.352 -0.61 . . . . 65.299999999999997 109.352 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -72.57 103.5 1.35 Allowed Glycine 0 C--N 1.343 0.922 0 N-CA-C 110.836 -0.906 . . . . 63.32 110.836 172.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 7.3 mp -57.17 -43.01 82.21 Favored 'General case' 0 N--CA 1.482 1.148 0 N-CA-C 108.59 -0.893 . . . . 63.219999999999999 108.59 176.25 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.3 m -77.9 87.04 4.1 Favored 'General case' 0 CA--C 1.551 0.988 0 N-CA-C 107.759 -1.2 . . . . 62.509999999999998 107.759 164.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 ptm180 -70.68 170.77 11.64 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 122.77 0.428 . . . . 72.420000000000002 111.153 -178.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -121.86 115.49 22.7 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 123.81 0.844 . . . . 74.219999999999999 109.099 -177.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.575 ' HB ' HG12 ' A' ' 31' ' ' VAL . 49.7 mt -105.06 110.99 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.679 0 C-N-CA 123.593 0.757 . . . . 61.5 108.994 177.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 HG22 ' HB3' ' A' ' 32' ' ' GLU . 66.7 p -105.47 105.28 15.25 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.092 -1.077 . . . . 74.099999999999994 108.092 -178.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.5 t -134.93 148.26 50.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 123.342 0.657 . . . . 72.519999999999996 110.24 -174.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 66.8 mt-30 -89.81 3.48 52.78 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 123.699 0.8 . . . . 72.420000000000002 110.378 178.255 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.8 t30 -115.63 109.63 18.03 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.158 0.983 . . . . 72.299999999999997 108.625 173.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.459 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -72.77 -22.54 60.82 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 123.269 0.628 . . . . 74.150000000000006 112.087 -178.332 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -65.74 -51.35 59.93 Favored 'General case' 0 N--CA 1.48 1.036 0 C-N-CA 123.388 0.675 . . . . 63.43 111.302 -176.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -64.9 -29.15 70.08 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-N 116.457 -0.338 . . . . 74.150000000000006 110.824 178.29 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.4 mt -63.2 -33.24 75.05 Favored 'General case' 0 C--N 1.354 0.795 0 C-N-CA 122.868 0.467 . . . . 73.209999999999994 110.144 175.606 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD21 ' HB3' ' A' ' 47' ' ' ASP . 51.2 mt -71.93 -42.96 66.04 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 123.478 0.711 . . . . 71.409999999999997 110.986 176.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.4 mt-10 -64.59 -49.12 72.4 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.352 0.661 . . . . 72.040000000000006 111.308 -178.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 55.5 mt -69.69 -30.72 45.94 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.946 0 C-N-CA 123.041 0.536 . . . . 74.129999999999995 109.895 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.568 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -59.38 -53.57 56.62 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 116.376 -0.374 . . . . 42.43 110.976 172.171 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.1 tp -56.49 -41.76 77.15 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.225 0.953 . . . . 74.430000000000007 111.426 -175.482 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.1 OUTLIER -68.49 -32.34 72.24 Favored 'General case' 0 C--N 1.357 0.901 0 O-C-N 123.634 0.584 . . . . 74.430000000000007 110.472 -179.012 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -70.65 -45.11 65.77 Favored 'General case' 0 C--N 1.365 1.248 0 C-N-CA 122.731 0.412 . . . . 75.430000000000007 110.302 178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.558 HG21 ' HB ' ' A' ' 55' ' ' THR . 42.1 mm -65.85 -33.77 65.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 122.955 0.502 . . . . 72.450000000000003 109.677 -179.082 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 43.0 t -66.11 -26.45 67.46 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.037 0.935 . . . . 61.310000000000002 112.057 174.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . 0.401 ' HG3' ' O ' ' A' ' 21' ' ' LYS . 45.0 mt-30 -92.09 -3.4 55.77 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.151 0.58 . . . . 63.219999999999999 110.565 176.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.74 19.22 71.18 Favored Glycine 0 C--N 1.355 1.586 0 C-N-CA 123.467 0.556 . . . . 51.310000000000002 113.55 179.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.3 mt -102.61 149.5 24.37 Favored 'General case' 0 N--CA 1.475 0.795 0 C-N-CA 124.612 1.165 . . . . 74.409999999999997 111.128 -172.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -79.51 150.7 31.1 Favored 'General case' 0 N--CA 1.472 0.642 0 N-CA-C 109.23 -0.655 . . . . 74.109999999999999 109.23 168.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.456 HD23 ' HA ' ' A' ' 19' ' ' ALA . 64.2 tp -148.85 120.57 8.08 Favored 'General case' 0 N--CA 1.467 0.378 0 C-N-CA 123.632 0.773 . . . . 74.040000000000006 109.162 178.041 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.44 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.0 tt0 -92.36 126.98 37.68 Favored 'General case' 0 CA--C 1.539 0.533 0 N-CA-C 108.311 -0.996 . . . . 62.310000000000002 108.311 171.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.575 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.1 m -126.64 149.35 31.59 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 C-N-CA 124.051 0.94 . . . . 54.340000000000003 109.156 176.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' HB3' HG22 ' A' ' 8' ' ' THR . 36.6 tt0 -132.87 126.57 32.5 Favored 'General case' 0 C--O 1.239 0.538 0 C-N-CA 124.405 1.082 . . . . 64.019999999999996 108.672 178.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.8 t80 -83.1 106.52 14.98 Favored 'General case' 0 C--O 1.244 0.783 0 N-CA-C 108.032 -1.099 . . . . 75.219999999999999 108.032 171.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 t70 -79.17 85.79 5.02 Favored 'General case' 0 CA--C 1.547 0.849 0 CA-C-N 115.42 -0.809 . . . . 54.329999999999998 109.334 -179.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 35.0 t -168.33 153.58 6.6 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.88 0.872 . . . . 73.420000000000002 110.43 177.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 22.6 p -114.2 13.51 17.98 Favored 'General case' 0 C--O 1.245 0.826 0 C-N-CA 124.552 1.141 . . . . 65.439999999999998 110.099 172.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -81.83 107.62 14.7 Favored 'General case' 0 C--N 1.359 1.001 0 N-CA-C 108.365 -0.976 . . . . 73.200000000000003 108.365 178.269 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 23.0 m-20 -49.8 -38.96 36.67 Favored 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 124.265 1.026 . . . . 65.129999999999995 113.199 -174.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.6 mtmp? -65.54 -51.38 60.34 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 122.974 0.509 . . . . 63.240000000000002 110.371 -177.04 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -71.45 -28.69 64.13 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 115.643 -0.708 . . . . 72.299999999999997 111.064 -175.683 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.599 HG23 HD22 ' A' ' 68' ' ' LEU . 54.2 mt -61.83 -45.79 97.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.733 0 C-N-CA 123.661 0.785 . . . . 64.400000000000006 109.994 171.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 30.4 mm-40 -64.65 -33.44 75.94 Favored 'General case' 0 N--CA 1.476 0.837 0 O-C-N 123.693 0.621 . . . . 74.209999999999994 110.898 178.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mm-40 -60.44 -50.55 73.15 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 116.417 -0.356 . . . . 72.319999999999993 110.472 171.775 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -60.71 -35.58 76.68 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 122.761 0.424 . . . . 73.340000000000003 111.068 -179.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -56.34 -64.85 0.73 Allowed 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 124.104 0.962 . . . . 62.119999999999997 111.382 174.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 9.7 ptm180 -66.22 -38.16 87.27 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 115.108 -0.951 . . . . 72.239999999999995 111.269 -170.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.524 ' HB3' HD21 ' A' ' 16' ' ' LEU . 8.2 m-20 -61.25 -46.88 88.56 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 124.237 1.015 . . . . 71.099999999999994 112.442 175.564 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.528 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.3 mmt -70.6 -33.74 71.39 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 111.957 0.355 . . . . 71.219999999999999 111.957 -179.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -65.15 -49.37 70.13 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.125 0.57 . . . . 64.030000000000001 110.593 174.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -59.82 -46.64 88.61 Favored 'General case' 0 N--CA 1.475 0.782 0 C-N-CA 124.391 1.077 . . . . 70.549999999999997 110.814 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.33 -42.63 99.0 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.905 0.882 . . . . 74.519999999999996 110.981 178.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.95 -41.83 92.75 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.356 0.662 . . . . 71.310000000000002 111.546 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 26.8 mtpp -60.53 -52.11 66.56 Favored 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 123.629 0.772 . . . . 74.219999999999999 109.683 175.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -65.58 -22.52 66.69 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-N 115.029 -0.987 . . . . 73.420000000000002 112.994 -176.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.558 ' HB ' HG21 ' A' ' 23' ' ' ILE . 45.7 p -97.97 -16.83 19.51 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.157 0.583 . . . . 73.230000000000004 111.699 178.012 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.87 26.03 63.39 Favored Glycine 0 C--N 1.353 1.523 0 N-CA-C 113.718 0.247 . . . . 71.040000000000006 113.718 -177.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.407 HG22 ' OG1' ' A' ' 55' ' ' THR . 9.6 m -115.29 176.64 2.18 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.345 0 C-N-CA 123.407 0.683 . . . . 62.009999999999998 110.709 178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.492 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 77.8 mm-40 -112.02 163.85 13.81 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.399 0.68 . . . . 73.310000000000002 110.001 174.253 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 15.5 pt -109.8 168.19 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.92 0.888 . . . . 63.009999999999998 109.86 -179.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 30.4 tp60 -140.97 99.9 3.7 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 107.879 -1.156 . . . . 75.219999999999999 107.879 172.436 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 95.9 mttt -83.27 119.43 24.58 Favored 'General case' 0 C--O 1.237 0.426 0 N-CA-C 109.101 -0.703 . . . . 75.430000000000007 109.101 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 59.7 tp60 -131.2 107.4 8.98 Favored 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 124.444 1.097 . . . . 72.219999999999999 108.256 177.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -67.62 115.46 7.23 Favored 'General case' 0 C--O 1.237 0.429 0 N-CA-C 108.112 -1.07 . . . . 74.329999999999998 108.112 168.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -102.13 82.98 2.28 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 106.07 -1.826 . . . . 71.209999999999994 106.07 -176.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.27 -81.33 1.07 Allowed Glycine 0 C--N 1.348 1.23 0 CA-C-N 115.237 -0.892 . . . . 73.239999999999995 111.868 -172.141 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 16.5 m120 -145.45 6.0 1.09 Allowed 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.524 1.13 . . . . 52.140000000000001 111.134 -177.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.5 mmtp -109.95 131.05 55.41 Favored 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 107.653 -1.239 . . . . 65.420000000000002 107.653 177.476 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.599 HD22 HG23 ' A' ' 41' ' ' ILE . 61.2 tp -82.92 113.89 20.83 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 109.394 -0.595 . . . . 63.5 109.394 -173.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.476 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.2 ttm180 -116.64 110.3 18.32 Favored 'General case' 0 CA--C 1.536 0.432 0 C-N-CA 123.743 0.817 . . . . 74.299999999999997 109.775 -175.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 63.6 mt -110.18 121.55 63.22 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.607 0 N-CA-C 108.86 -0.793 . . . . 73.219999999999999 108.86 -178.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.44 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 51.8 ttt180 -94.92 132.18 40.03 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.761 -0.829 . . . . 75.439999999999998 108.761 174.637 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.568 HD12 ' HB1' ' A' ' 19' ' ' ALA . 38.8 mt -106.02 137.3 44.18 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 107.75 -1.204 . . . . 75.540000000000006 107.75 174.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.492 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 2.6 ptpt -102.24 147.87 26.13 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.545 0.738 . . . . 62.420000000000002 109.734 176.234 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.23 -42.9 27.33 Favored Glycine 0 C--N 1.345 1.048 0 N-CA-C 111.115 -0.794 . . . . 70.109999999999999 111.115 -176.544 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.1 p -166.81 128.41 1.69 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.386 0.674 . . . . 71.340000000000003 110.76 177.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 89.2 mt -92.05 -44.1 9.04 Favored 'General case' 0 N--CA 1.475 0.795 0 N-CA-C 107.418 -1.327 . . . . 71.349999999999994 107.418 160.128 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.4 29.26 0.19 Allowed 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.547 1.139 . . . . 74.310000000000002 113.267 -174.548 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.5 p-80 -73.56 -10.31 59.58 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.369 -0.604 . . . . 74.109999999999999 109.369 157.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 25.8 m170 -70.44 126.0 28.38 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 124.171 0.988 . . . . 73.530000000000001 108.995 170.33 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 61.4 m-70 -103.36 3.21 34.96 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.903 0.881 . . . . 74.450000000000003 111.03 177.585 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -156.63 144.89 19.66 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.303 0.641 . . . . 74.340000000000003 110.399 -179.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 12.9 p-80 -169.05 177.33 4.93 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.655 1.182 . . . . 64.450000000000003 109.171 164.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.6 p80 . . . . . 0 CA--C 1.555 1.138 0 N-CA-C 109.501 -0.555 . . . . 74.129999999999995 109.501 178.178 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.481 1.087 0 N-CA-C 109.633 -0.506 . . . . 73.310000000000002 109.633 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.24 72.38 2.81 Favored Glycine 0 C--N 1.347 1.181 0 O-C-N 123.28 0.363 . . . . 62.539999999999999 112.46 179.139 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.487 HD11 HD22 ' A' ' 27' ' ' LEU . 1.9 pt? -134.86 2.16 3.1 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.775 0.83 . . . . 73.340000000000003 109.923 174.505 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.1 m -72.46 78.9 1.04 Allowed 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 124.306 1.042 . . . . 72.310000000000002 109.852 -174.475 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.622 ' HE ' HD11 ' A' ' 7' ' ' ILE . 28.3 ptt180 -70.15 159.85 33.17 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 114.546 -1.206 . . . . 75.129999999999995 111.387 -175.589 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 63.3 m -106.94 122.46 46.48 Favored 'General case' 0 C--O 1.241 0.621 0 C-N-CA 124.146 0.978 . . . . 72.200000000000003 108.818 -176.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.622 HD11 ' HE ' ' A' ' 5' ' ' ARG . 52.9 mt -119.0 112.91 39.75 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.476 0 C-N-CA 123.512 0.725 . . . . 74.340000000000003 109.054 178.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.511 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 20.5 p -105.37 107.34 18.28 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 123.138 0.575 . . . . 73.420000000000002 109.598 178.202 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.2 t -137.66 157.49 46.38 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 123.144 0.578 . . . . 45.130000000000003 110.444 -178.707 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.404 ' HG2' ' HB2' ' A' ' 35' ' ' SER . 79.4 mt-30 -109.08 19.9 18.99 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.882 0.873 . . . . 75.120000000000005 110.402 171.746 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 25.4 t30 -121.7 99.83 6.67 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 107.127 -1.434 . . . . 55.420000000000002 107.127 170.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.563 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 2.0 pptp? -72.54 -18.87 61.6 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-O 119.49 -0.29 . . . . 73.120000000000005 111.738 -175.276 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -64.0 -53.93 42.31 Favored 'General case' 0 C--O 1.243 0.757 0 C-N-CA 123.1 0.56 . . . . 71.209999999999994 110.014 -177.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -62.62 -32.71 73.78 Favored 'General case' 0 C--N 1.355 0.823 0 CA-C-N 116.343 -0.389 . . . . 73.109999999999999 110.116 178.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.0 mt -63.99 -33.19 75.18 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 123.117 0.567 . . . . 62.310000000000002 110.731 177.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.476 HD11 ' HB3' ' A' ' 47' ' ' ASP . 93.5 mt -72.53 -39.23 67.69 Favored 'General case' 0 N--CA 1.482 1.155 0 O-C-N 123.854 0.721 . . . . 53.450000000000003 111.034 177.812 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -70.18 -43.95 69.75 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 123.441 0.696 . . . . 62.409999999999997 111.146 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 60.1 mt -67.95 -37.71 78.8 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 N-CA-C 109.361 -0.607 . . . . 74.209999999999994 109.361 177.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.89 -56.11 26.15 Favored 'General case' 0 N--CA 1.466 0.364 0 CA-C-N 115.715 -0.675 . . . . 75.340000000000003 110.378 175.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.0 tp -54.42 -39.02 66.92 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 124.516 1.126 . . . . 74.329999999999998 111.983 -176.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -70.63 -33.96 71.56 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 123.177 0.298 . . . . 74.409999999999997 110.927 -179.397 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -70.83 -48.85 51.81 Favored 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 109.775 -0.454 . . . . 71.010000000000005 109.775 178.059 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.404 HG12 ' O ' ' A' ' 19' ' ' ALA . 43.3 mm -70.27 -31.19 46.24 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.036 0 C-N-CA 123.681 0.792 . . . . 62.310000000000002 110.125 -174.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.5 t -54.46 -40.19 68.19 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 124.267 1.027 . . . . 61.439999999999998 111.421 172.668 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -93.95 -3.09 52.19 Favored 'General case' 0 CA--C 1.55 0.948 0 CA-C-N 115.169 -0.923 . . . . 73.409999999999997 111.578 -178.407 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 9.73 84.39 Favored Glycine 0 C--N 1.35 1.351 0 C-N-CA 122.926 0.298 . . . . 55.520000000000003 113.253 179.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.487 HD22 HD11 ' A' ' 3' ' ' LEU . 27.7 mt -79.36 142.42 36.04 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 123.837 0.855 . . . . 72.540000000000006 109.708 179.713 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -82.47 142.39 31.93 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.548 -0.538 . . . . 63.229999999999997 109.548 173.838 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 57.8 tp -136.49 139.84 42.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.002 0.921 . . . . 70.450000000000003 108.851 179.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -117.31 123.43 46.52 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 108.554 -0.906 . . . . 72.310000000000002 108.554 175.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.59 HG12 ' HB ' ' A' ' 7' ' ' ILE . 16.3 m -124.28 128.39 73.8 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.738 0 C-N-CA 123.741 0.816 . . . . 72.25 109.216 178.674 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.511 ' O ' ' HA ' ' A' ' 8' ' ' THR . 42.8 tt0 -114.98 115.22 26.52 Favored 'General case' 0 N--CA 1.47 0.549 0 N-CA-C 108.347 -0.983 . . . . 71.329999999999998 108.347 174.096 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 35.0 t80 -79.52 95.14 5.75 Favored 'General case' 0 C--O 1.243 0.724 0 N-CA-C 107.69 -1.226 . . . . 71.450000000000003 107.69 178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -84.98 79.92 9.47 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 109.414 -0.587 . . . . 71.329999999999998 109.414 -171.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . 0.404 ' HB2' ' HG2' ' A' ' 10' ' ' GLN . 40.5 t -146.28 152.64 39.48 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 114.951 -1.022 . . . . 74.109999999999999 110.159 -177.193 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.3 p -108.54 6.92 26.49 Favored 'General case' 0 CA--C 1.552 1.023 0 C-N-CA 123.679 0.792 . . . . 61.219999999999999 111.049 174.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -91.25 109.33 20.59 Favored 'General case' 0 C--N 1.354 0.789 0 N-CA-C 108.781 -0.822 . . . . 72.140000000000001 108.781 179.325 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -52.84 -43.31 65.92 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 124.659 1.184 . . . . 73.349999999999994 112.24 -175.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 43.5 mtpt -59.02 -49.27 78.54 Favored 'General case' 0 N--CA 1.48 1.06 0 O-C-N 124.079 0.862 . . . . 74.120000000000005 110.787 -175.58 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -65.99 -37.57 86.27 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 124.118 0.967 . . . . 62.210000000000001 111.654 -179.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.502 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 80.8 mt -65.2 -42.19 93.5 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 O-C-N 123.635 0.584 . . . . 72.25 109.968 176.481 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.4 mt-10 -62.46 -43.31 99.12 Favored 'General case' 0 N--CA 1.483 1.184 0 C-N-CA 123.871 0.868 . . . . 74.219999999999999 110.868 -179.479 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.563 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 53.2 mm-40 -59.37 -46.19 89.34 Favored 'General case' 0 N--CA 1.469 0.492 0 O-C-N 124.132 0.895 . . . . 71.450000000000003 110.764 174.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -58.37 -40.85 83.37 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 123.839 0.856 . . . . 73.329999999999998 111.274 177.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.502 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.2 mt-10 -63.32 -63.48 1.18 Allowed 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.763 0.825 . . . . 65.239999999999995 111.521 -179.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -36.98 77.8 Favored 'General case' 0 N--CA 1.477 0.909 0 O-C-N 123.668 0.605 . . . . 71.230000000000004 111.718 -174.471 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.476 ' HB3' HD11 ' A' ' 16' ' ' LEU . 5.5 m-20 -66.81 -43.32 84.13 Favored 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.607 0.966 . . . . 53.240000000000002 113.607 175.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 17.7 mmt -68.35 -35.09 77.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 118.135 0.425 . . . . 73.319999999999993 111.613 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -69.42 -40.93 76.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.738 0.815 . . . . 70.230000000000004 110.678 175.557 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -59.72 -51.64 68.89 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.149 0.98 . . . . 74.109999999999999 109.771 176.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 64.6 tp -62.02 -41.55 98.21 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 124.78 1.232 . . . . 73.439999999999998 111.516 -179.288 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.89 -49.68 76.75 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 123.404 0.682 . . . . 61.149999999999999 111.064 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 60.0 mtpt -60.72 -46.0 92.08 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 115.45 -0.795 . . . . 64.310000000000002 110.569 178.025 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -58.04 -38.29 75.98 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 124.074 0.95 . . . . 72.040000000000006 112.325 178.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 72.5 p -93.86 -1.96 54.09 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 123.316 0.646 . . . . 61.020000000000003 111.66 -177.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.1 14.5 82.2 Favored Glycine 0 C--N 1.353 1.473 0 N-CA-C 113.894 0.318 . . . . 65.140000000000001 113.894 175.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 13.6 m -108.69 177.5 1.17 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.288 0 C-N-CA 123.318 0.647 . . . . 65.329999999999998 110.568 -179.394 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.549 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 48.4 mt-30 -111.86 164.49 13.03 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 123.634 0.774 . . . . 75.120000000000005 109.507 178.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.418 ' HB ' HG23 ' A' ' 70' ' ' ILE . 32.4 pt -110.64 172.01 2.75 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.038 0.535 . . . . 73.510000000000005 110.034 171.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.418 ' HB2' ' HB3' ' A' ' 71' ' ' ARG . 22.3 mm-40 -139.02 100.0 3.91 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 124.055 0.942 . . . . 70.319999999999993 108.848 168.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.475 ' HG2' HG12 ' A' ' 70' ' ' ILE . 95.1 mttt -78.87 126.02 30.14 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 123.383 0.673 . . . . 72.319999999999993 109.628 175.1 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 54.4 tp60 -133.73 101.32 5.06 Favored 'General case' 0 C--O 1.237 0.416 0 N-CA-C 108.281 -1.007 . . . . 75.120000000000005 108.281 176.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 92.6 m95 -66.94 105.16 1.54 Allowed 'General case' 0 CA--C 1.542 0.636 0 N-CA-C 108.175 -1.046 . . . . 75.340000000000003 108.175 168.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.7 tp60 -102.08 88.51 3.35 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 107.723 -1.214 . . . . 71.25 107.723 -177.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.36 -63.77 4.28 Favored Glycine 0 C--N 1.349 1.268 0 CA-C-N 115.368 -0.833 . . . . 52.450000000000003 112.283 -176.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -151.8 -43.17 0.11 Allowed 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.929 0.892 . . . . 73.439999999999998 109.429 -178.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 31.1 mmtp -68.86 145.65 53.52 Favored 'General case' 0 N--CA 1.486 1.36 0 C-N-CA 123.735 0.814 . . . . 70.519999999999996 110.5 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.0 tp -95.98 129.15 43.32 Favored 'General case' 0 N--CA 1.472 0.658 0 C-N-CA 122.624 0.37 . . . . 63.140000000000001 110.569 179.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.504 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 49.1 ttm-85 -115.71 109.91 18.38 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.272 1.029 . . . . 73.239999999999995 108.861 176.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.475 HG12 ' HG2' ' A' ' 61' ' ' LYS . 35.8 mt -103.27 115.65 45.62 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.535 0 N-CA-C 108.228 -1.027 . . . . 75.540000000000006 108.228 176.057 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.418 ' HB3' ' HB2' ' A' ' 60' ' ' GLN . 35.5 ttt-85 -93.94 125.94 38.85 Favored 'General case' 0 CA--C 1.537 0.48 0 N-CA-C 108.234 -1.024 . . . . 72.310000000000002 108.234 175.562 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 82.4 mt -103.72 131.71 50.64 Favored 'General case' 0 C--N 1.322 -0.594 0 C-N-CA 125.052 1.341 . . . . 70.310000000000002 108.899 -178.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.576 ' HG3' HD21 ' A' ' 76' ' ' LEU . 14.5 ptpt -112.04 161.84 16.03 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.019 0.928 . . . . 75.239999999999995 110.769 -177.488 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -104.66 -87.99 2.03 Favored Glycine 0 C--N 1.348 1.239 0 N-CA-C 112.269 -0.332 . . . . 63.109999999999999 112.269 -176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -108.81 116.08 31.3 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.603 0.761 . . . . 61.130000000000003 110.266 -174.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.576 HD21 ' HG3' ' A' ' 73' ' ' LYS . 1.5 mm? -109.98 -22.64 11.73 Favored 'General case' 0 N--CA 1.488 1.47 0 C-N-CA 123.866 0.866 . . . . 73.329999999999998 110.435 -177.437 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -140.76 -170.79 3.1 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 125.115 1.366 . . . . 54.340000000000003 109.306 -171.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 20.1 p80 -70.96 71.95 0.55 Allowed 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.813 0.845 . . . . 73.430000000000007 110.23 171.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 5.2 t60 -73.64 102.15 3.83 Favored 'General case' 0 N--CA 1.469 0.487 0 CA-C-N 115.289 -0.869 . . . . 62.140000000000001 108.906 -173.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -66.25 98.09 0.44 Allowed 'General case' 0 CA--C 1.54 0.584 0 O-C-N 124.163 0.914 . . . . 64.25 110.957 -174.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -118.98 87.16 2.68 Favored 'General case' 0 CA--C 1.551 1.004 0 CA-C-O 122.543 1.163 . . . . 71.230000000000004 109.06 175.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.4 t-80 -113.4 0.49 14.78 Favored 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 124.474 1.11 . . . . 72.540000000000006 108.842 172.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 1.8 t60 . . . . . 0 C--O 1.247 0.969 0 C-N-CA 126.137 1.775 . . . . 73.349999999999994 107.71 178.816 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 ptp . . . . . 0 N--CA 1.484 1.233 0 N-CA-C 110.063 -0.347 . . . . 64.019999999999996 110.063 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 85.03 -97.52 2.15 Favored Glycine 0 C--N 1.342 0.892 0 N-CA-C 111.432 -0.667 . . . . 53.130000000000003 111.432 -178.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -160.12 154.75 24.05 Favored 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 123.438 0.695 . . . . 73.319999999999993 109.978 -177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 20.1 m 57.91 63.99 1.65 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 124.323 1.049 . . . . 65.430000000000007 111.165 -178.685 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.9 ptm180 -72.33 157.28 37.96 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 114.697 -1.138 . . . . 73.450000000000003 110.822 172.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 29.2 m -117.52 103.13 9.77 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 108.217 -1.031 . . . . 74.340000000000003 108.217 -176.155 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.552 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.6 mt -96.01 108.67 21.49 Favored 'Isoleucine or valine' 0 C--O 1.236 0.368 0 N-CA-C 108.843 -0.799 . . . . 71.409999999999997 108.843 -171.5 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.508 HG22 ' HB3' ' A' ' 32' ' ' GLU . 44.6 p -97.65 105.95 18.18 Favored 'General case' 0 CA--C 1.536 0.442 0 N-CA-C 108.506 -0.924 . . . . 65.510000000000005 108.506 -175.767 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -138.3 160.48 39.36 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.471 0.708 . . . . 73.010000000000005 110.002 -178.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 30.2 tt0 -106.49 3.07 26.77 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.92 0.888 . . . . 74.5 110.046 176.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -109.02 104.55 13.79 Favored 'General case' 0 N--CA 1.477 0.904 0 N-CA-C 108.739 -0.837 . . . . 74.25 108.739 -179.191 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.501 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -69.25 -30.92 69.16 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.266 0.626 . . . . 63.229999999999997 111.698 -172.384 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -74.1 -41.78 61.12 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 123.501 0.72 . . . . 75.140000000000001 109.791 -176.061 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -56.42 -45.98 80.43 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 114.943 -1.026 . . . . 52.530000000000001 109.708 173.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 84.7 mt -64.83 -23.46 67.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.497 -1.229 . . . . 74.5 111.57 179.201 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.501 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 89.0 mt -75.41 -42.89 52.6 Favored 'General case' 0 N--CA 1.485 1.276 0 C-N-CA 122.78 0.432 . . . . 74.299999999999997 110.511 176.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -66.81 -45.51 78.12 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 123.697 0.623 . . . . 72.420000000000002 110.967 -178.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.519 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 56.0 mt -69.13 -36.96 75.78 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.701 0 CA-C-N 115.432 -0.804 . . . . 74.409999999999997 109.819 178.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -57.11 -54.73 43.5 Favored 'General case' 0 N--CA 1.479 0.975 0 C-N-CA 122.543 0.337 . . . . 62.32 111.219 173.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.3 tp -54.32 -38.81 66.4 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 125.013 1.325 . . . . 73.340000000000003 111.825 -173.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.11 -37.61 78.48 Favored 'General case' 0 CA--C 1.549 0.939 0 O-C-N 123.691 0.619 . . . . 72.219999999999999 111.047 -178.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . 0.442 ' HD1' ' O ' ' A' ' 18' ' ' ILE . 43.1 m-85 -73.32 -42.9 61.8 Favored 'General case' 0 N--CA 1.485 1.32 0 C-N-CA 122.616 0.367 . . . . 72.510000000000005 110.499 -179.825 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 45.1 mm -66.87 -37.79 80.14 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 N-CA-C 109.334 -0.617 . . . . 71.409999999999997 109.334 -178.185 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.6 t -60.8 -33.24 72.69 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 123.509 0.723 . . . . 73.319999999999993 111.875 176.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -86.47 -2.05 58.12 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.088 0.555 . . . . 53.520000000000003 112.143 -179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.8 21.41 74.49 Favored Glycine 0 C--N 1.343 0.972 0 O-C-N 122.942 0.151 . . . . 75.450000000000003 113.004 -177.811 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 83.2 mt -96.82 135.53 38.66 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.407 0.683 . . . . 73.409999999999997 110.634 -178.495 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -76.95 143.07 39.74 Favored 'General case' 0 N--CA 1.471 0.618 0 CA-C-N 116.06 -0.518 . . . . 72.409999999999997 109.64 169.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 66.5 tp -142.15 160.49 40.12 Favored 'General case' 0 C--N 1.323 -0.558 0 C-N-CA 124.742 1.217 . . . . 72.129999999999995 108.359 -170.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -134.93 134.29 40.47 Favored 'General case' 0 CA--C 1.531 0.23 0 N-CA-C 109.042 -0.725 . . . . 74.109999999999999 109.042 168.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 7' ' ' ILE . 7.1 m -130.44 120.38 48.42 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 108.621 -0.881 . . . . 74.310000000000002 108.621 177.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.554 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -103.94 119.75 39.58 Favored 'General case' 0 C--O 1.234 0.247 0 N-CA-C 108.944 -0.761 . . . . 72.310000000000002 108.944 179.625 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -93.43 105.63 17.67 Favored 'General case' 0 C--O 1.242 0.695 0 CA-C-N 115.758 -0.655 . . . . 73.349999999999994 109.604 -176.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -86.23 91.88 8.6 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 115.381 -0.827 . . . . 73.430000000000007 109.941 -179.506 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.8 t -159.16 143.28 15.24 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 115.828 -0.624 . . . . 75.319999999999993 109.719 173.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 20.2 p -99.74 3.37 44.9 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 123.629 0.772 . . . . 73.219999999999999 110.866 172.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -88.68 113.38 24.18 Favored 'General case' 0 N--CA 1.472 0.629 0 N-CA-C 108.664 -0.865 . . . . 64.230000000000004 108.664 -174.638 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.3 m-20 -49.9 -42.78 48.82 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 124.365 1.066 . . . . 64.519999999999996 113.256 -177.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.7 mtmp? -59.5 -48.08 83.02 Favored 'General case' 0 N--CA 1.484 1.246 0 N-CA-C 110.234 -0.284 . . . . 64.0 110.234 179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.5 mm-40 -66.93 -39.98 87.49 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 123.754 0.659 . . . . 74.329999999999998 111.331 -175.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 78.1 mt -64.18 -46.99 91.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.751 0 C-N-CA 123.764 0.825 . . . . 62.520000000000003 111.106 179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -72.75 -28.81 62.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 115.898 -0.592 . . . . 74.209999999999994 111.164 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 56.6 mm-40 -63.85 -43.82 94.97 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 123.52 0.512 . . . . 60.020000000000003 110.394 168.325 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.442 ' HD2' HD23 ' A' ' 68' ' ' LEU . 71.5 t80 -63.61 -41.05 98.34 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 122.58 0.352 . . . . 75.310000000000002 110.346 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -58.76 -63.58 1.24 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.255 0.622 . . . . 42.240000000000002 111.211 176.426 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 12.9 ptm180 -60.63 -43.15 97.84 Favored 'General case' 0 N--CA 1.471 0.602 0 O-C-N 124.551 1.157 . . . . 74.420000000000002 111.79 -169.35 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.93 -40.24 96.0 Favored 'General case' 0 CA--C 1.556 1.175 0 O-C-N 123.831 0.707 . . . . 73.430000000000007 111.998 176.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 20.6 mmt -70.5 -32.97 70.68 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 118.342 0.519 . . . . 71.420000000000002 112.018 176.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 57.7 mt-10 -66.98 -47.17 72.36 Favored 'General case' 0 N--CA 1.482 1.13 0 C-N-CA 123.607 0.763 . . . . 71.439999999999998 110.659 177.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.414 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 11.5 m-20 -71.33 -30.51 66.29 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.158 0.583 . . . . 64.329999999999998 111.097 178.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 39.9 tp -62.44 -47.15 85.31 Favored 'General case' 0 N--CA 1.474 0.743 0 N-CA-C 109.412 -0.588 . . . . 75.439999999999998 109.412 171.389 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.481 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -64.0 -37.93 89.21 Favored 'General case' 0 C--N 1.347 0.473 0 CA-C-N 115.298 -0.865 . . . . 71.040000000000006 111.735 179.643 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.414 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 54.7 mtpt -60.99 -55.03 37.66 Favored 'General case' 0 CA--C 1.542 0.636 0 C-N-CA 123.236 0.615 . . . . 74.319999999999993 110.464 176.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 28.4 mtpp -66.25 -29.37 69.59 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-N 115.651 -0.704 . . . . 74.040000000000006 112.316 -175.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.8 p -93.07 -11.73 32.27 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 122.551 0.34 . . . . 61.229999999999997 111.523 177.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 69.75 25.97 74.94 Favored Glycine 0 C--N 1.355 1.634 0 O-C-N 123.272 0.357 . . . . 73.340000000000003 113.414 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.6 m -106.51 176.0 1.19 Allowed 'Isoleucine or valine' 0 N--CA 1.472 0.675 0 C-N-CA 123.563 0.745 . . . . 70.409999999999997 109.637 175.635 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -109.38 164.54 12.4 Favored 'General case' 0 N--CA 1.479 0.989 0 CA-C-O 120.909 0.385 . . . . 70.430000000000007 110.502 172.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.481 HG23 ' HB2' ' A' ' 52' ' ' ALA . 44.0 pt -118.51 155.99 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 N-CA-C 109.287 -0.634 . . . . 72.239999999999995 109.287 171.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -122.78 100.24 6.8 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 107.596 -1.261 . . . . 71.150000000000006 107.596 -179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.3 mttt -79.9 116.37 20.01 Favored 'General case' 0 N--CA 1.47 0.564 0 N-CA-C 109.235 -0.654 . . . . 62.350000000000001 109.235 178.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.6 tp-100 -126.53 111.7 14.69 Favored 'General case' 0 C--N 1.33 -0.257 0 N-CA-C 107.845 -1.169 . . . . 54.520000000000003 107.845 -179.559 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 89.6 m95 -78.68 110.32 13.71 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 110.14 -0.318 . . . . 75.450000000000003 110.14 178.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 20.6 tp60 -97.92 83.4 3.14 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.026 -1.842 . . . . 64.140000000000001 106.026 176.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.45 -134.13 24.22 Favored Glycine 0 C--N 1.34 0.784 0 N-CA-C 110.529 -1.029 . . . . 71.109999999999999 110.529 -164.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -95.79 24.24 5.56 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 117.285 0.543 . . . . 75.040000000000006 110.577 175.234 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 33.7 mmtp -113.41 132.1 55.75 Favored 'General case' 0 N--CA 1.475 0.784 0 N-CA-C 107.296 -1.372 . . . . 61.039999999999999 107.296 177.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.442 HD23 ' HD2' ' A' ' 44' ' ' PHE . 62.9 tp -92.77 100.8 13.22 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.237 0.541 . . . . 34.219999999999999 110.914 -173.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.554 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 63.9 ttt180 -92.28 108.63 20.1 Favored 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 124.601 1.16 . . . . 73.319999999999993 108.933 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.1 mt -111.63 124.84 68.75 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 N-CA-C 109.475 -0.565 . . . . 63.229999999999997 109.475 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 76.5 ttt180 -96.28 123.26 39.85 Favored 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 123.134 0.573 . . . . 65.040000000000006 109.531 176.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.0 mt -104.64 117.24 33.63 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 124.53 1.132 . . . . 61.210000000000001 109.644 -172.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.574 ' HG3' HD21 ' A' ' 76' ' ' LEU . 17.7 ptpt -106.16 103.78 13.34 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-O 121.286 0.565 . . . . 72.439999999999998 111.273 -170.701 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.14 35.27 1.94 Allowed Glycine 0 N--CA 1.474 1.18 0 CA-C-N 115.781 -0.645 . . . . 42.32 113.193 174.115 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 21.0 p -158.23 91.77 1.12 Allowed 'General case' 0 CA--C 1.542 0.638 0 CA-C-N 117.293 0.547 . . . . 52.509999999999998 110.727 -171.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.574 HD21 ' HG3' ' A' ' 73' ' ' LYS . 3.3 mm? -128.23 133.9 48.9 Favored 'General case' 0 N--CA 1.491 1.59 0 N-CA-C 108.983 -0.747 . . . . 74.140000000000001 108.983 171.675 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -64.29 -32.4 73.98 Favored 'General case' 0 N--CA 1.481 1.113 0 CA-C-O 121.881 0.848 . . . . 70.219999999999999 110.303 173.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 42.3 m170 -111.73 87.8 2.65 Favored 'General case' 0 CA--C 1.531 0.217 0 CA-C-N 114.721 -1.127 . . . . 62.450000000000003 108.388 176.365 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 38.0 t-80 -63.57 98.7 0.18 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 114.899 -1.046 . . . . 74.329999999999998 109.258 171.028 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 24.3 p80 -135.75 156.63 48.51 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.275 0.56 . . . . 72.409999999999997 111.24 -175.069 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 9.1 p80 -156.04 24.88 0.37 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 114.101 -1.408 . . . . 73.230000000000004 109.117 178.449 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 48.4 t-80 -68.27 129.06 38.8 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.778 0.831 . . . . 72.299999999999997 111.558 -178.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 96.8 m-70 . . . . . 0 CA--C 1.555 1.167 0 C-N-CA 124.412 1.085 . . . . 71.200000000000003 108.301 173.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.478 0.951 0 N-CA-C 109.38 -0.6 . . . . 64.140000000000001 109.38 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 92.25 -155.86 23.13 Favored Glycine 0 C--N 1.349 1.25 0 O-C-N 123.783 0.677 . . . . 72.129999999999995 112.652 175.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 68.7 mt -118.68 -33.43 4.27 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.898 0.879 . . . . 74.439999999999998 110.194 -178.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 19.6 m -90.94 170.25 10.22 Favored 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 124.555 1.142 . . . . 74.420000000000002 110.502 -176.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 18.7 ptp180 -174.67 153.21 1.76 Allowed 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 106.517 -1.66 . . . . 73.140000000000001 106.517 -179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.445 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 19.7 m -115.37 110.25 19.09 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 109.218 -0.66 . . . . 53.229999999999997 109.218 -178.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.568 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.7 mt -101.3 114.62 41.06 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 108.914 -0.773 . . . . 74.200000000000003 108.914 -178.577 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.526 HG22 ' HB3' ' A' ' 32' ' ' GLU . 20.6 p -104.54 106.68 17.27 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.104 -1.072 . . . . 75.409999999999997 108.104 178.672 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 34.8 t -137.21 144.63 42.93 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 122.885 0.474 . . . . 74.400000000000006 111.146 -175.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -80.94 -15.72 55.49 Favored 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 123.982 0.913 . . . . 74.150000000000006 111.76 -177.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -112.89 112.24 23.57 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.876 0.471 . . . . 75.319999999999993 109.875 178.552 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.3 pptp? -74.01 -16.58 61.05 Favored 'General case' 0 N--CA 1.474 0.733 0 CA-C-N 115.718 -0.674 . . . . 73.209999999999994 112.25 -176.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 30.7 mt-10 -60.04 -55.64 31.45 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.361 0.664 . . . . 51.140000000000001 110.077 -178.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -61.68 -30.14 70.54 Favored 'General case' 0 C--N 1.359 1.021 0 CA-C-N 115.526 -0.761 . . . . 73.409999999999997 111.274 177.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 86.0 mt -66.53 -29.99 70.2 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 122.848 0.459 . . . . 71.530000000000001 110.573 179.174 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.5 mt -76.84 -41.49 43.91 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.389 0.676 . . . . 73.400000000000006 110.127 177.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -63.99 -42.91 97.06 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-N 114.989 -1.005 . . . . 61.039999999999999 111.667 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 97.8 mt -75.36 -32.81 26.32 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.919 0 C-N-CA 123.633 0.773 . . . . 62.109999999999999 110.158 177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.495 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -57.26 -59.23 5.42 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.383 0.673 . . . . 71.430000000000007 111.95 176.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 50.9 tp -52.82 -38.23 61.04 Favored 'General case' 0 N--CA 1.482 1.138 0 O-C-N 124.313 1.008 . . . . 73.120000000000005 111.425 -177.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -60.92 -46.68 89.71 Favored 'General case' 0 CA--C 1.545 0.773 0 C-N-CA 123.722 0.809 . . . . 55.140000000000001 110.879 178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -71.34 -36.05 71.4 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 122.692 0.397 . . . . 70.310000000000002 111.155 -176.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 38.9 mm -68.74 -38.61 79.09 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.859 0 N-CA-C 109.812 -0.44 . . . . 72.329999999999998 109.812 178.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 64.1 m -62.87 -26.45 68.78 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.633 0.773 . . . . 63.240000000000002 111.685 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.4 mt-30 -87.76 -20.02 26.75 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 123.733 0.813 . . . . 74.340000000000003 111.253 175.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.22 11.48 72.47 Favored Glycine 0 C--N 1.347 1.142 0 CA-C-N 116.781 -0.19 . . . . 61.100000000000001 112.737 -175.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 95.3 mt -80.22 139.33 36.78 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.996 0.918 . . . . 75.230000000000004 110.93 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 t70 -77.14 132.77 38.99 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 108.366 -0.975 . . . . 74.120000000000005 108.366 168.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.495 HD23 ' HA ' ' A' ' 19' ' ' ALA . 55.4 tp -136.97 118.78 15.12 Favored 'General case' 0 N--CA 1.468 0.447 0 C-N-CA 123.765 0.826 . . . . 72.109999999999999 109.023 -174.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.445 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -100.47 120.0 39.34 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 108.611 -0.885 . . . . 74.150000000000006 108.611 178.326 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.568 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.6 m -122.46 126.9 74.77 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.158 0 C-N-CA 123.3 0.64 . . . . 63.409999999999997 109.973 179.261 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.58 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.4 tt0 -106.63 124.36 49.49 Favored 'General case' 0 C--O 1.234 0.269 0 N-CA-C 108.963 -0.755 . . . . 74.439999999999998 108.963 171.754 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 13.5 t80 -80.23 108.67 14.02 Favored 'General case' 0 C--O 1.241 0.654 0 N-CA-C 109.003 -0.74 . . . . 74.530000000000001 109.003 177.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -80.86 81.55 7.08 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 123.585 0.754 . . . . 60.43 109.856 179.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.5 t -155.14 165.29 37.15 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 115.491 -0.777 . . . . 73.409999999999997 110.754 178.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 6.9 p -128.87 16.05 6.33 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.751 1.22 . . . . 73.140000000000001 110.505 175.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -97.28 111.78 23.88 Favored 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 108.96 -0.756 . . . . 60.420000000000002 108.96 176.614 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.489 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.0 m-20 -53.67 -39.31 64.98 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 124.134 0.973 . . . . 73.420000000000002 112.461 -177.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.5 mmpt? -65.08 -46.56 80.65 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 122.931 0.492 . . . . 63.340000000000003 110.948 -175.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 69.9 mm-40 -63.35 -36.61 84.28 Favored 'General case' 0 CA--C 1.546 0.807 0 C-N-CA 123.63 0.772 . . . . 64.310000000000002 110.749 177.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.429 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.9 mt -63.96 -42.37 95.52 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.622 0.769 . . . . 63.509999999999998 110.635 176.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.489 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 69.5 mt-10 -59.66 -39.89 85.94 Favored 'General case' 0 N--CA 1.484 1.25 0 C-N-CA 123.317 0.647 . . . . 70.430000000000007 110.627 178.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -65.97 -43.54 87.56 Favored 'General case' 0 C--N 1.347 0.492 0 O-C-N 124.363 1.039 . . . . 72.219999999999999 110.751 176.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -58.7 -40.56 83.99 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 123.104 0.561 . . . . 71.120000000000005 109.626 -179.345 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.429 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 46.0 mt-10 -61.83 -64.42 0.94 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 115.658 -0.701 . . . . 75.420000000000002 111.649 175.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.4 ptm180 -64.84 -35.33 80.78 Favored 'General case' 0 N--CA 1.475 0.793 0 O-C-N 123.862 0.726 . . . . 61.25 112.013 -168.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -70.07 -42.04 73.34 Favored 'General case' 0 N--CA 1.475 0.787 0 O-C-N 123.771 0.67 . . . . 70.120000000000005 112.594 175.315 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.438 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.3 mmt -64.81 -34.22 77.83 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 118.166 0.439 . . . . 72.099999999999994 111.265 173.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.5 mt-10 -72.92 -40.22 65.64 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.624 0.77 . . . . 54.310000000000002 110.661 175.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -57.84 -51.81 68.07 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.909 0.883 . . . . 72.299999999999997 109.016 177.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.5 tp -56.96 -51.84 67.61 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 113.663 -1.608 . . . . 73.310000000000002 110.538 175.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.73 -49.8 74.11 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.654 0.782 . . . . 74.209999999999994 112.808 -175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.4 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 0.7 OUTLIER -60.03 -50.93 71.79 Favored 'General case' 0 N--CA 1.478 0.929 0 O-C-N 123.482 0.489 . . . . 64.420000000000002 110.27 178.441 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 48.2 mtpt -66.08 -22.59 66.42 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.051 0.94 . . . . 73.219999999999999 112.74 -177.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 65.6 p -100.11 -6.71 25.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 123.049 0.54 . . . . 63.119999999999997 111.692 177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 80.08 20.25 67.95 Favored Glycine 0 C--N 1.352 1.435 0 N-CA-C 113.967 0.347 . . . . 74.239999999999995 113.967 175.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.6 m -116.34 178.33 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.038 0 C-N-CA 123.78 0.832 . . . . 75.400000000000006 110.532 179.184 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 86.2 mm-40 -120.67 170.77 9.12 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.314 0.646 . . . . 75.040000000000006 110.058 175.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 18.7 pt -123.11 171.6 11.8 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 122.894 0.478 . . . . 70.25 110.169 177.094 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.41 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 6.4 tp-100 -135.65 102.12 5.0 Favored 'General case' 0 CA--C 1.536 0.416 0 N-CA-C 108.736 -0.838 . . . . 73.299999999999997 108.736 177.759 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -82.51 115.53 21.54 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.587 -0.523 . . . . 72.540000000000006 109.587 178.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 58.5 tt0 -122.32 118.52 28.67 Favored 'General case' 0 N--CA 1.466 0.347 0 C-N-CA 124.685 1.194 . . . . 61.340000000000003 108.087 178.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.7 m95 -93.18 140.4 29.56 Favored 'General case' 0 N--CA 1.468 0.453 0 C-N-CA 123.622 0.769 . . . . 71.340000000000003 110.374 178.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -135.13 95.73 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 N-CA-C 106.213 -1.773 . . . . 74.450000000000003 106.213 167.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 64.63 -132.83 37.97 Favored Glycine 0 C--N 1.351 1.377 0 N-CA-C 110.723 -0.951 . . . . 61.509999999999998 110.723 -168.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -93.71 22.11 5.83 Favored 'General case' 0 N--CA 1.484 1.232 0 C-N-CA 123.373 0.669 . . . . 75.439999999999998 111.156 176.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 43.3 mmtm -106.28 119.01 38.12 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 107.927 -1.138 . . . . 74.219999999999999 107.927 174.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.9 tp -98.8 116.4 30.95 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 109.809 -0.441 . . . . 44.119999999999997 109.809 177.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.58 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 18.1 ttm180 -101.01 110.34 22.35 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.332 1.053 . . . . 75.120000000000005 109.005 174.054 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 39.9 mt -103.35 117.91 49.53 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.595 0 N-CA-C 108.276 -1.009 . . . . 65.420000000000002 108.276 176.108 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.41 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.2 ttt180 -96.1 126.88 41.64 Favored 'General case' 0 CA--C 1.532 0.278 0 N-CA-C 109.133 -0.692 . . . . 75.310000000000002 109.133 177.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.4 mt -105.52 136.76 44.51 Favored 'General case' 0 C--N 1.324 -0.528 0 C-N-CA 125.078 1.351 . . . . 72.209999999999994 108.174 -175.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -111.21 147.47 34.92 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 109.494 -0.558 . . . . 73.310000000000002 109.494 174.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.76 -18.09 73.72 Favored Glycine 0 C--N 1.346 1.103 0 O-C-N 123.277 0.36 . . . . 74.129999999999995 112.453 179.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.8 t -171.5 -178.77 2.39 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 124.443 1.097 . . . . 62.219999999999999 110.302 178.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 36.4 mt -132.18 -172.23 2.84 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 125.167 1.387 . . . . 74.400000000000006 108.382 168.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.1 mp0 -76.11 165.88 24.29 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 109.029 -0.73 . . . . 64.140000000000001 109.029 171.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 52.5 t-80 -70.72 82.47 0.62 Allowed 'General case' 0 CA--C 1.546 0.808 0 CA-C-O 121.42 0.629 . . . . 65.040000000000006 109.641 176.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.3 m80 -92.74 -3.93 53.98 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 123.746 0.819 . . . . 70.349999999999994 110.687 179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 20.1 t-80 -74.2 101.07 3.86 Favored 'General case' 0 C--O 1.241 0.646 0 C-N-CA 123.105 0.562 . . . . 71.319999999999993 111.512 -171.115 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 65.8 m-70 -116.8 168.03 10.58 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 124.532 1.133 . . . . 74.120000000000005 108.355 169.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 49.9 p-80 -154.08 151.94 29.88 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 122.752 0.421 . . . . 74.140000000000001 110.242 178.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.4 t60 . . . . . 0 C--O 1.252 1.209 0 N-CA-C 108.104 -1.073 . . . . 71.450000000000003 108.104 -179.001 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.484 1.248 0 N-CA-C 111.231 0.086 . . . . 53.240000000000002 111.231 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.86 68.89 3.47 Favored Glycine 0 C--N 1.347 1.174 0 N-CA-C 111.654 -0.578 . . . . 74.549999999999997 111.654 176.717 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.502 HD23 ' H ' ' A' ' 3' ' ' LEU . 2.3 pt? -68.31 139.12 55.91 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 123.623 0.769 . . . . 63.109999999999999 110.911 -178.129 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.4 m -79.03 81.1 5.33 Favored 'General case' 0 C--O 1.242 0.706 0 N-CA-C 108.6 -0.889 . . . . 62.299999999999997 108.6 174.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -68.01 156.5 37.19 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-N 114.865 -1.062 . . . . 74.510000000000005 110.508 179.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -117.28 106.43 13.26 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.005 -0.739 . . . . 72.140000000000001 109.005 -173.297 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.486 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -100.62 117.16 45.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.749 0 C-N-CA 123.956 0.903 . . . . 74.010000000000005 110.555 -169.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 29.9 p -100.47 107.67 19.45 Favored 'General case' 0 C--O 1.24 0.586 0 C-N-CA 123.661 0.785 . . . . 35.409999999999997 109.121 -178.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.3 m -137.01 146.66 45.56 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.017 0.527 . . . . 71.420000000000002 110.911 178.575 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.2 mt-30 -88.55 -7.8 55.86 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.43 1.092 . . . . 75.510000000000005 111.414 178.275 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -114.39 117.48 31.15 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 108.466 -0.938 . . . . 73.299999999999997 108.466 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.521 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -68.49 -27.35 66.07 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 123.537 0.735 . . . . 72.349999999999994 112.719 -177.024 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -68.82 -47.32 66.34 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 123.333 0.653 . . . . 75.450000000000003 112.065 -176.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -64.78 -30.84 71.86 Favored 'General case' 0 N--CA 1.486 1.362 0 CA-C-O 120.686 0.279 . . . . 51.310000000000002 110.479 179.04 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.4 mt -64.1 -32.73 74.4 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.604 -0.725 . . . . 74.150000000000006 111.146 172.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.471 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 67.6 mt -74.14 -36.21 64.13 Favored 'General case' 0 N--CA 1.493 1.71 0 C-N-CA 123.431 0.693 . . . . 63.329999999999998 111.213 178.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -65.0 -47.54 77.15 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.317 0.647 . . . . 41.210000000000001 110.837 178.683 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.4 ' O ' ' HB3' ' A' ' 21' ' ' LYS . 55.8 mt -71.81 -33.45 48.25 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.748 0 CA-C-N 115.782 -0.644 . . . . 61.329999999999998 109.934 177.746 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.413 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -55.44 -59.36 4.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 123.365 0.666 . . . . 64.319999999999993 110.952 175.744 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.538 HD13 HD11 ' A' ' 51' ' ' LEU . 42.4 tp -64.23 -27.63 69.19 Favored 'General case' 0 CA--C 1.544 0.723 0 CA-C-N 114.775 -1.102 . . . . 53.539999999999999 111.361 -176.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.4 ' HB3' ' O ' ' A' ' 18' ' ' ILE . 62.5 tttp -57.9 -48.19 80.61 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.643 0.777 . . . . 63.130000000000003 110.098 172.364 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.6 m-85 -77.71 -37.23 49.92 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.038 0.535 . . . . 73.239999999999995 111.703 -178.145 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.473 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.1 mm -69.27 -38.02 76.94 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.062 0.545 . . . . 63.130000000000003 110.466 -176.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 29.7 t -64.1 -21.81 66.68 Favored 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 123.184 0.594 . . . . 75.109999999999999 112.269 174.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -95.38 -8.23 36.21 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.582 0.753 . . . . 73.519999999999996 111.071 176.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.48 17.59 79.81 Favored Glycine 0 C--N 1.349 1.305 0 O-C-N 123.262 0.351 . . . . 43.509999999999998 112.881 -178.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 92.8 mt -89.88 141.23 28.84 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.583 1.153 . . . . 63.210000000000001 109.984 -178.319 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -75.46 139.95 42.56 Favored 'General case' 0 C--O 1.241 0.625 0 O-C-N 123.709 0.631 . . . . 75.120000000000005 109.331 173.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.9 tp -137.52 144.68 42.27 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 108.678 -0.86 . . . . 73.400000000000006 108.678 -177.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -121.43 123.41 42.01 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 108.271 -1.011 . . . . 61.030000000000001 108.271 173.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.486 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.8 m -124.29 119.63 57.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 C-N-CA 123.727 0.811 . . . . 74.200000000000003 108.955 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.596 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 44.2 tt0 -103.71 117.85 35.33 Favored 'General case' 0 C--O 1.237 0.406 0 N-CA-C 108.469 -0.937 . . . . 72.010000000000005 108.469 178.163 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 28.1 t80 -80.36 109.72 15.12 Favored 'General case' 0 C--O 1.244 0.814 0 CA-C-N 115.276 -0.874 . . . . 74.25 109.029 -178.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 36.5 t70 -79.74 87.45 5.25 Favored 'General case' 0 C--O 1.241 0.622 0 CA-C-N 115.565 -0.743 . . . . 74.219999999999999 109.1 -179.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 22.7 t -163.36 162.64 25.1 Favored 'General case' 0 C--O 1.241 0.651 0 CA-C-N 115.301 -0.863 . . . . 74.129999999999995 110.44 177.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 29.8 p -135.27 13.86 3.52 Favored 'General case' 0 CA--C 1.546 0.813 0 C-N-CA 125.278 1.431 . . . . 72.319999999999993 109.762 177.134 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -103.31 121.27 42.39 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.114 0.966 . . . . 65.019999999999996 109.234 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.415 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 21.1 m-20 -57.65 -37.77 73.93 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.361 1.038 . . . . 73.030000000000001 113.076 -174.215 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -63.63 -47.32 81.82 Favored 'General case' 0 N--CA 1.484 1.241 0 O-C-N 123.509 0.505 . . . . 71.400000000000006 110.39 -177.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 16.6 mm-40 -60.47 -42.86 97.11 Favored 'General case' 0 N--CA 1.478 0.952 0 O-C-N 124.315 1.009 . . . . 70.140000000000001 111.186 176.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.454 HG21 ' HH2' ' A' ' 63' ' ' TRP . 93.9 mt -64.35 -43.94 97.15 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.804 0 C-N-CA 124.156 0.982 . . . . 73.0 111.162 -177.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.415 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.1 mt-10 -59.75 -40.15 87.18 Favored 'General case' 0 N--CA 1.485 1.322 0 C-N-CA 123.035 0.534 . . . . 75.329999999999998 110.52 -179.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.521 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 60.5 mt-10 -62.64 -44.56 95.98 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 124.399 1.062 . . . . 74.140000000000001 110.921 176.367 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 60.8 t80 -61.78 -41.05 97.21 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.28 -0.418 . . . . 64.530000000000001 110.451 179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -63.54 -62.76 1.46 Allowed 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.565 0.746 . . . . 60.119999999999997 111.355 178.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.5 ptm180 -57.13 -40.93 78.1 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 123.753 0.658 . . . . 65.150000000000006 112.335 -173.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -68.17 -42.58 79.78 Favored 'General case' 0 CA--C 1.546 0.823 0 C-N-CA 123.663 0.785 . . . . 62.32 112.778 178.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 19.4 mmt -67.8 -36.66 80.84 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-N 117.757 0.253 . . . . 73.299999999999997 111.609 176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -66.13 -47.19 74.92 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 123.43 0.692 . . . . 75.329999999999998 110.217 176.607 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -53.6 -54.57 35.63 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 124.538 1.135 . . . . 72.319999999999993 110.303 177.193 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.538 HD11 HD13 ' A' ' 20' ' ' LEU . 51.4 tp -58.77 -54.73 43.76 Favored 'General case' 0 CA--C 1.537 0.47 0 CA-C-N 114.343 -1.299 . . . . 50.530000000000001 110.261 -177.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.37 -55.78 29.2 Favored 'General case' 0 N--CA 1.474 0.74 0 C-N-CA 123.839 0.856 . . . . 54.240000000000002 112.284 -175.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -55.16 -49.92 70.63 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 123.683 0.793 . . . . 73.219999999999999 111.172 -177.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 46.8 mtpt -71.54 -21.92 61.83 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.184 -0.916 . . . . 72.439999999999998 112.853 -176.41 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 74.7 p -91.37 -9.48 44.66 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 122.559 0.343 . . . . 71.219999999999999 111.109 175.227 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 84.58 19.52 59.94 Favored Glycine 0 C--N 1.35 1.336 0 O-C-N 123.31 0.381 . . . . 43.299999999999997 114.021 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.516 ' HA ' HD12 ' A' ' 76' ' ' LEU . 22.5 m -114.75 176.15 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 C-N-CA 123.825 0.85 . . . . 65.140000000000001 109.023 172.399 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 96.3 mt-30 -118.06 173.59 6.69 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.189 0.519 . . . . 74.150000000000006 110.065 171.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.472 ' HB ' HG23 ' A' ' 70' ' ' ILE . 26.2 pt -111.49 174.17 2.21 Favored 'Isoleucine or valine' 0 C--O 1.24 0.57 0 CA-C-N 115.604 -0.725 . . . . 63.130000000000003 110.423 173.606 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.441 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.4 OUTLIER -139.72 99.78 3.79 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 107.151 -1.425 . . . . 74.219999999999999 107.151 174.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.433 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.3 mttt -79.6 118.57 21.57 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 109.018 -0.734 . . . . 62.100000000000001 109.018 177.819 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 6.9 tp60 -128.59 100.75 5.87 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 124.28 1.032 . . . . 71.450000000000003 108.491 -179.202 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.454 ' HH2' HG21 ' A' ' 41' ' ' ILE . 87.5 m95 -70.73 110.97 5.84 Favored 'General case' 0 C--O 1.236 0.357 0 C-N-CA 123.037 0.535 . . . . 74.129999999999995 109.597 174.777 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -123.56 82.04 1.97 Allowed 'General case' 0 CA--C 1.536 0.436 0 N-CA-C 107.761 -1.2 . . . . 74.099999999999994 107.761 -173.187 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.97 46.76 70.34 Favored Glycine 0 C--N 1.345 1.038 0 CA-C-N 116.226 -0.443 . . . . 64.219999999999999 112.785 -177.206 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 87.6 m-20 76.57 -27.79 0.18 Allowed 'General case' 0 N--CA 1.491 1.579 0 C-N-CA 125.859 1.664 . . . . 61.009999999999998 112.679 -178.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 70.9 mmtt -65.22 115.18 5.28 Favored 'General case' 0 C--O 1.24 0.599 0 N-CA-C 108.968 -0.753 . . . . 64.319999999999993 108.968 172.197 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 37.4 tp -83.43 95.63 8.31 Favored 'General case' 0 CA--C 1.534 0.348 0 N-CA-C 109.12 -0.696 . . . . 74.129999999999995 109.12 -177.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.596 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.8 ttm180 -84.78 106.18 16.12 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 114.98 -1.009 . . . . 60.229999999999997 108.985 177.296 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.472 HG23 ' HB ' ' A' ' 59' ' ' ILE . 26.6 mt -104.84 117.87 51.22 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.552 0 N-CA-C 108.668 -0.864 . . . . 73.540000000000006 108.668 177.604 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 33.7 ttp85 -96.05 126.67 41.45 Favored 'General case' 0 CA--C 1.538 0.484 0 N-CA-C 108.901 -0.777 . . . . 71.010000000000005 108.901 173.342 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HB3' HD11 ' A' ' 23' ' ' ILE . 41.4 mt -93.32 122.77 36.07 Favored 'General case' 0 C--O 1.244 0.787 0 C-N-CA 124.851 1.26 . . . . 71.109999999999999 108.206 177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HD2' ' HG ' ' A' ' 76' ' ' LEU . 17.6 ptpt -89.22 92.22 9.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 122.274 1.035 . . . . 73.109999999999999 110.288 -178.44 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -55.6 -38.46 71.55 Favored Glycine 0 N--CA 1.469 0.836 0 CA-C-N 114.667 -1.151 . . . . 53.310000000000002 111.496 172.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 47.9 t -100.63 100.04 10.7 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.663 1.185 . . . . 62.409999999999997 108.48 168.693 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.516 HD12 ' HA ' ' A' ' 57' ' ' VAL . 3.0 tt -80.01 -60.38 2.36 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 108.236 -1.024 . . . . 71.340000000000003 108.236 177.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -155.49 164.46 38.65 Favored 'General case' 0 C--O 1.242 0.67 0 CA-C-N 115.141 -0.936 . . . . 63.020000000000003 111.529 -170.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -71.9 150.68 43.97 Favored 'General case' 0 C--O 1.248 1.004 0 CA-C-N 114.894 -1.048 . . . . 74.540000000000006 110.071 171.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -76.14 96.47 3.88 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-O 121.225 0.536 . . . . 73.5 111.01 -177.58 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.8 p80 -84.75 -167.31 1.76 Allowed 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 123.867 0.867 . . . . 74.209999999999994 109.148 168.264 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 45.3 m80 -67.19 150.91 48.45 Favored 'General case' 0 N--CA 1.482 1.132 0 N-CA-C 109.62 -0.511 . . . . 72.019999999999996 109.62 170.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -74.48 72.65 1.89 Allowed 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 122.305 1.05 . . . . 75.140000000000001 110.492 -179.166 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 . . . . . 0 C--O 1.25 1.112 0 N-CA-C 108.072 -1.084 . . . . 71.310000000000002 108.072 -172.528 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.459 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.478 0.93 0 CA-C-O 121.582 0.706 . . . . 63.140000000000001 110.249 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 75.71 -78.79 1.16 Allowed Glycine 0 C--N 1.352 1.424 0 CA-C-N 115.299 -0.864 . . . . 72.420000000000002 113.054 177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.6 pp -66.31 159.88 25.73 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.899 0.88 . . . . 64.129999999999995 112.669 -178.004 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 96.8 m -77.11 101.35 6.07 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.823 -0.626 . . . . 73.25 109.463 172.123 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -75.76 157.11 33.91 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 116.54 -0.3 . . . . 74.200000000000003 110.63 173.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.2 m -119.27 112.0 18.91 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.969 0.908 . . . . 71.540000000000006 108.675 -178.014 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.488 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -98.72 114.76 37.33 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.498 0 C-N-CA 123.66 0.784 . . . . 64.120000000000005 109.426 -173.669 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.475 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 58.7 p -100.1 107.51 19.43 Favored 'General case' 0 C--O 1.239 0.537 0 N-CA-C 107.906 -1.146 . . . . 73.140000000000001 107.906 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 48.2 t -132.17 153.21 50.78 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.508 0.671 . . . . 61.200000000000003 111.902 -171.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.0 mt-30 -92.23 -11.34 35.63 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 114.175 -1.375 . . . . 75.150000000000006 110.829 -176.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -119.53 120.68 37.46 Favored 'General case' 0 N--CA 1.479 0.989 0 C-N-CA 123.985 0.914 . . . . 53.450000000000003 110.145 178.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.468 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 1.8 pptp? -72.32 -24.93 61.38 Favored 'General case' 0 N--CA 1.475 0.781 0 CA-C-N 115.949 -0.568 . . . . 72.409999999999997 112.15 179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -68.93 -49.06 61.34 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.4 0.68 . . . . 72.219999999999999 111.821 -175.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.12 -30.1 71.19 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 122.585 0.354 . . . . 63.240000000000002 110.312 178.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 85.4 mt -64.76 -32.6 74.36 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 123.662 0.601 . . . . 41.0 110.964 174.679 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.5 mt -70.99 -41.9 70.36 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.115 0.566 . . . . 52.409999999999997 110.59 177.762 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -67.24 -44.21 79.99 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 115.01 -0.995 . . . . 75.299999999999997 111.218 -178.408 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 77.3 mt -68.85 -39.23 79.73 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.028 0 C-N-CA 123.125 0.57 . . . . 72.209999999999994 109.98 177.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.457 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -57.02 -58.5 7.88 Favored 'General case' 0 N--CA 1.469 0.518 0 C-N-CA 123.233 0.613 . . . . 61.140000000000001 110.652 177.108 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -52.81 -36.65 58.77 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 124.437 1.095 . . . . 72.230000000000004 111.476 -178.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 ttmp? -61.04 -49.05 78.94 Favored 'General case' 0 C--N 1.352 0.684 0 C-N-CA 123.853 0.861 . . . . 74.420000000000002 111.011 176.557 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -70.52 -41.67 72.26 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 122.96 0.504 . . . . 73.349999999999994 110.913 -176.633 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.474 HG23 ' HA2' ' A' ' 74' ' ' GLY . 41.4 mm -69.4 -35.56 67.67 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.827 0 C-N-CA 123.145 0.578 . . . . 74.310000000000002 109.831 -176.823 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -63.95 -32.52 74.09 Favored 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 123.513 0.725 . . . . 44.399999999999999 111.573 174.68 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 76.7 mt-30 -87.16 -0.8 57.26 Favored 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 123.233 0.613 . . . . 70.200000000000003 111.157 177.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 75.04 13.67 82.48 Favored Glycine 0 C--N 1.349 1.27 0 O-C-N 123.038 0.211 . . . . 73.510000000000005 113.346 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 87.1 mt -77.33 170.84 15.84 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.176 0.991 . . . . 74.5 110.945 178.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -116.32 132.16 56.75 Favored 'General case' 0 CA--C 1.54 0.564 0 N-CA-C 107.729 -1.212 . . . . 75.299999999999997 107.729 174.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.6 tp -137.95 139.47 39.76 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.518 0.727 . . . . 64.319999999999993 109.337 -172.702 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 27.5 tt0 -115.4 134.44 55.09 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 108.339 -0.986 . . . . 74.430000000000007 108.339 172.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.488 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.9 m -131.78 121.33 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 123.676 0.79 . . . . 74.439999999999998 109.57 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' O ' ' HA ' ' A' ' 8' ' ' THR . 33.7 tt0 -105.78 123.3 47.72 Favored 'General case' 0 CA--C 1.531 0.233 0 N-CA-C 108.593 -0.891 . . . . 52.149999999999999 108.593 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 19.8 t80 -79.15 106.89 11.51 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 109.081 -0.711 . . . . 74.310000000000002 109.081 178.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -81.98 78.87 8.63 Favored 'General case' 0 CA--C 1.544 0.735 0 CA-C-N 115.225 -0.898 . . . . 75.439999999999998 109.07 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.5 t -166.67 141.88 4.34 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 114.76 -1.109 . . . . 72.209999999999994 109.721 176.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 66.2 p -97.85 6.74 47.42 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 123.696 0.798 . . . . 71.209999999999994 111.231 175.202 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -83.09 107.23 15.52 Favored 'General case' 0 C--N 1.35 0.595 0 N-CA-C 108.541 -0.911 . . . . 64.540000000000006 108.541 -175.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.476 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.3 m-20 -48.6 -47.37 39.93 Favored 'General case' 0 N--CA 1.475 0.778 0 O-C-N 124.732 1.27 . . . . 71.219999999999999 112.454 -175.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 30.7 mmmt -61.96 -45.22 94.61 Favored 'General case' 0 C--O 1.244 0.773 0 O-C-N 123.856 0.723 . . . . 74.340000000000003 111.572 -175.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 45.5 mm-40 -64.27 -39.04 93.13 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 115.772 -0.649 . . . . 75.319999999999993 111.058 177.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.45 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 85.9 mt -65.37 -39.64 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 123.457 0.703 . . . . 74.230000000000004 110.75 179.286 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.476 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 72.3 mt-10 -59.86 -43.96 94.39 Favored 'General case' 0 N--CA 1.48 1.074 0 C-N-CA 123.038 0.535 . . . . 63.229999999999997 110.299 -179.644 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.29 -38.47 87.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 124.193 0.933 . . . . 74.310000000000002 110.835 177.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 56.7 t80 -59.16 -42.21 90.2 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.795 0.438 . . . . 65.140000000000001 109.968 177.382 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.45 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 42.0 mt-10 -61.8 -64.07 1.06 Allowed 'General case' 0 C--N 1.349 0.551 0 C-N-CA 123.545 0.738 . . . . 62.130000000000003 111.465 178.348 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -64.2 -37.04 86.05 Favored 'General case' 0 C--N 1.35 0.619 0 O-C-N 123.912 0.758 . . . . 71.319999999999993 112.176 -171.039 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -64.27 -43.77 93.79 Favored 'General case' 0 CA--C 1.544 0.728 0 CA-C-O 119.089 -0.482 . . . . 64.439999999999998 111.781 174.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.657 ' SD ' HD11 ' A' ' 72' ' ' LEU . 19.2 mmt -65.63 -35.24 80.23 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 117.905 0.32 . . . . 65.530000000000001 111.737 176.578 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.43 ' HG2' HD13 ' A' ' 59' ' ' ILE . 45.5 mt-10 -65.97 -50.29 64.84 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.378 0.671 . . . . 71.120000000000005 110.632 177.305 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.443 ' HA ' ' HE3' ' A' ' 53' ' ' LYS . 1.4 m-20 -65.61 -35.93 82.24 Favored 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 123.937 0.895 . . . . 73.319999999999993 111.087 -178.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.76 -42.92 99.91 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.278 0.631 . . . . 72.329999999999998 110.078 172.708 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -66.88 -29.07 68.87 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.341 0.656 . . . . 65.310000000000002 112.252 177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.443 ' HE3' ' HA ' ' A' ' 50' ' ' ASP . 0.0 OUTLIER -63.97 -53.86 43.53 Favored 'General case' 0 C--O 1.24 0.555 0 N-CA-C 109.836 -0.431 . . . . 51.509999999999998 109.836 172.629 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 59.5 mtpt -55.65 -46.61 77.46 Favored 'General case' 0 N--CA 1.483 1.186 0 O-C-N 124.285 0.991 . . . . 73.319999999999993 111.132 -177.477 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.1 p -83.48 -13.43 54.67 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.914 -1.039 . . . . 64.239999999999995 112.005 -176.533 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.51 19.7 77.74 Favored Glycine 0 C--N 1.354 1.56 0 N-CA-C 114.074 0.39 . . . . 65.129999999999995 114.074 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 11.2 m -103.13 175.69 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 CA-C-O 121.33 0.586 . . . . 53.130000000000003 112.161 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.5 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 79.3 mt-30 -105.77 150.23 25.73 Favored 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 114.765 -1.107 . . . . 62.229999999999997 109.736 177.789 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.43 HD13 ' HG2' ' A' ' 49' ' ' GLU . 24.8 pt -108.99 166.38 4.64 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.088 0.955 . . . . 74.109999999999999 109.501 175.089 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.459 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 9.0 tp-100 -139.78 100.3 3.92 Favored 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 109.172 -0.677 . . . . 71.340000000000003 109.172 174.257 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.5 ' HG2' HG12 ' A' ' 70' ' ' ILE . 99.8 mttt -88.2 133.55 34.0 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 122.998 0.519 . . . . 74.200000000000003 110.403 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.5 tt0 -135.19 118.08 16.25 Favored 'General case' 0 N--CA 1.468 0.441 0 N-CA-C 108.846 -0.798 . . . . 74.530000000000001 108.846 172.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 77.7 m95 -89.26 120.23 30.44 Favored 'General case' 0 N--CA 1.468 0.45 0 N-CA-C 108.123 -1.066 . . . . 74.310000000000002 108.123 172.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.53 106.52 4.0 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 107.38 -1.341 . . . . 65.209999999999994 107.38 -175.195 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 62.8 33.96 88.39 Favored Glycine 0 C--N 1.345 1.039 0 O-C-N 123.655 0.597 . . . . 73.200000000000003 111.836 -177.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 59.7 t30 75.89 -21.46 0.31 Allowed 'General case' 0 N--CA 1.493 1.683 0 C-N-CA 125.829 1.651 . . . . 70.530000000000001 111.761 -177.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.47 121.07 18.98 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.054 0.542 . . . . 73.450000000000003 109.572 175.545 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 65.4 tp -94.55 122.14 36.82 Favored 'General case' 0 CA--C 1.534 0.335 0 CA-C-N 115.682 -0.69 . . . . 74.0 110.605 -177.496 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.431 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 11.9 ttp180 -107.68 110.98 22.97 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 124.404 1.081 . . . . 51.310000000000002 108.832 177.359 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.5 HG12 ' HG2' ' A' ' 61' ' ' LYS . 51.2 mt -107.93 117.59 53.86 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 N-CA-C 108.581 -0.896 . . . . 72.5 108.581 176.297 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.459 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 74.3 ttt180 -95.53 130.82 42.24 Favored 'General case' 0 CA--C 1.534 0.351 0 N-CA-C 109.222 -0.659 . . . . 64.409999999999997 109.222 175.734 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.657 HD11 ' SD ' ' A' ' 48' ' ' MET . 87.7 mt -112.4 137.38 50.65 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 124.466 1.107 . . . . 75.310000000000002 109.162 -177.333 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.5 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 14.3 ptpt -116.77 155.24 29.27 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 123.164 0.586 . . . . 74.150000000000006 109.623 178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.474 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -105.2 -84.27 1.74 Allowed Glycine 0 N--CA 1.472 1.061 0 O-C-N 122.978 0.174 . . . . 71.120000000000005 113.27 -173.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 26.0 p -95.61 87.28 4.67 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 123.372 0.669 . . . . 73.329999999999998 110.477 -171.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.405 ' HG ' ' HD3' ' A' ' 73' ' ' LYS . 4.3 mm? -117.51 146.35 43.61 Favored 'General case' 0 N--CA 1.486 1.368 0 C-N-CA 123.684 0.794 . . . . 72.129999999999995 110.649 -177.266 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.5 mm-40 -93.89 101.66 13.75 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.743 0.817 . . . . 52.32 110.335 175.127 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 32.5 p-80 -150.13 71.02 1.05 Allowed 'General case' 0 N--CA 1.467 0.424 0 N-CA-C 106.688 -1.597 . . . . 71.109999999999999 106.688 170.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 29.9 t-80 -57.84 91.24 0.01 OUTLIER 'General case' 0 N--CA 1.479 0.989 0 CA-C-N 113.965 -1.471 . . . . 72.299999999999997 112.605 -166.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -141.02 178.53 7.31 Favored 'General case' 0 C--O 1.243 0.718 0 C-N-CA 125.035 1.334 . . . . 74.310000000000002 108.953 178.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 74.6 t60 -132.5 117.77 18.44 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.869 0.868 . . . . 75.340000000000003 109.341 -176.238 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 37.5 m170 -78.37 176.49 9.28 Favored 'General case' 0 N--CA 1.482 1.161 0 C-N-CA 123.508 0.723 . . . . 64.420000000000002 110.149 173.37 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 23.9 p80 . . . . . 0 CA--C 1.569 1.711 0 N-CA-C 112.734 0.642 . . . . 74.340000000000003 112.734 -170.244 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.2 mmt . . . . . 0 N--CA 1.477 0.879 0 N-CA-C 108.757 -0.831 . . . . 73.010000000000005 108.757 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -82.79 -142.3 4.4 Favored Glycine 0 C--N 1.351 1.371 0 N-CA-C 111.395 -0.682 . . . . 62.039999999999999 111.395 167.309 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.6 mt -80.74 -17.25 51.61 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 122.872 0.469 . . . . 54.310000000000002 112.12 -178.377 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.402 HG22 ' HB2' ' A' ' 30' ' ' GLU . 10.2 m -90.42 86.41 6.44 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 123.299 0.64 . . . . 75.219999999999999 110.773 -176.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.7 ptm180 -69.36 158.42 35.11 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 122.954 0.502 . . . . 71.0 111.279 174.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 37.3 m -118.49 117.52 29.23 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.22 0.608 . . . . 43.109999999999999 110.479 -172.767 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.603 ' HB ' HG12 ' A' ' 31' ' ' VAL . 51.6 mt -109.7 113.2 43.53 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.641 0 N-CA-C 108.827 -0.805 . . . . 72.099999999999994 108.827 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.591 HG22 ' HB3' ' A' ' 32' ' ' GLU . 21.7 p -106.11 107.56 18.62 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 124.122 0.969 . . . . 73.129999999999995 108.742 -178.852 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 29.3 t -136.83 148.83 47.37 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 122.663 0.385 . . . . 23.210000000000001 110.692 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 33.4 mt-30 -85.22 -5.86 59.3 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.39 1.076 . . . . 75.439999999999998 110.367 176.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -109.44 113.85 27.0 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.49 1.116 . . . . 65.349999999999994 108.41 175.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.544 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 3.4 pptp? -79.05 -22.67 45.02 Favored 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 112.048 0.388 . . . . 71.400000000000006 112.048 -179.118 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -59.83 -53.04 62.62 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 123.132 0.573 . . . . 62.229999999999997 110.645 -175.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.405 ' O ' HG13 ' A' ' 18' ' ' ILE . 12.7 pt-20 -59.45 -33.07 70.83 Favored 'General case' 0 CA--C 1.546 0.793 0 CA-C-N 115.668 -0.696 . . . . 61.039999999999999 111.228 175.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 97.6 mt -67.0 -30.46 70.57 Favored 'General case' 0 N--CA 1.481 1.094 0 C-N-CA 122.891 0.476 . . . . 72.340000000000003 110.163 -179.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 61.2 mt -75.47 -40.97 56.68 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 123.463 0.705 . . . . 42.409999999999997 109.441 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -64.17 -46.04 85.79 Favored 'General case' 0 N--CA 1.483 1.198 0 CA-C-N 115.058 -0.974 . . . . 64.239999999999995 111.98 178.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.405 HG13 ' O ' ' A' ' 14' ' ' GLU . 47.0 mt -71.51 -28.29 31.15 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 CA-C-N 115.925 -0.58 . . . . 63.409999999999997 109.805 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -59.3 -59.28 5.71 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 116.467 -0.333 . . . . 71.450000000000003 110.374 173.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 61.5 tp -54.99 -43.75 73.86 Favored 'General case' 0 CA--C 1.542 0.649 0 O-C-N 124.502 1.126 . . . . 72.040000000000006 112.103 -175.114 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -66.29 -34.23 77.53 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 122.578 0.351 . . . . 74.129999999999995 111.721 -179.23 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -75.9 -41.95 50.49 Favored 'General case' 0 N--CA 1.485 1.279 0 C-N-CA 122.708 0.403 . . . . 73.239999999999995 110.798 -179.465 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.515 HD11 ' HB3' ' A' ' 72' ' ' LEU . 48.5 mm -70.6 -33.98 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.908 0 C-N-CA 123.072 0.549 . . . . 73.439999999999998 109.779 -177.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 36.5 t -65.99 -33.26 75.4 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.742 0.817 . . . . 75.349999999999994 111.496 174.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 49.1 mt-30 -82.03 -5.29 58.25 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.114 0.566 . . . . 74.349999999999994 111.323 173.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 72.88 30.19 63.95 Favored Glycine 0 C--N 1.354 1.579 0 O-C-N 123.37 0.419 . . . . 73.099999999999994 112.79 178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 99.5 mt -102.5 170.65 7.91 Favored 'General case' 0 N--CA 1.474 0.738 0 C-N-CA 124.493 1.117 . . . . 52.439999999999998 111.339 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -102.88 131.05 50.07 Favored 'General case' 0 C--O 1.241 0.644 0 C-N-CA 124.376 1.071 . . . . 72.230000000000004 109.211 178.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 63.4 tp -142.17 118.89 11.09 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 122.972 0.509 . . . . 55.399999999999999 110.234 -179.345 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.411 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 37.0 tt0 -94.05 133.14 37.83 Favored 'General case' 0 N--CA 1.469 0.493 0 N-CA-C 108.567 -0.901 . . . . 75.530000000000001 108.567 169.267 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.603 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.7 m -132.16 123.87 51.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.652 0 N-CA-C 108.948 -0.76 . . . . 73.209999999999994 108.948 175.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.591 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.3 tt0 -106.56 124.61 49.86 Favored 'General case' 0 C--O 1.24 0.604 0 N-CA-C 108.503 -0.925 . . . . 75.230000000000004 108.503 173.335 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 9.7 t80 -89.37 108.46 19.64 Favored 'General case' 0 C--O 1.245 0.843 0 CA-C-N 115.173 -0.921 . . . . 73.409999999999997 109.162 179.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.519 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 36.4 t70 -84.83 79.87 9.47 Favored 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 124.07 0.948 . . . . 75.530000000000001 109.61 -179.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -155.04 163.4 40.33 Favored 'General case' 0 N--CA 1.475 0.779 0 CA-C-N 115.37 -0.832 . . . . 55.030000000000001 110.524 -179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 45.6 p -129.86 11.73 5.66 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 124.186 0.994 . . . . 71.129999999999995 110.43 177.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -87.29 111.72 21.33 Favored 'General case' 0 C--N 1.354 0.782 0 N-CA-C 108.04 -1.096 . . . . 71.400000000000006 108.04 176.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -46.79 -50.29 18.53 Favored 'General case' 0 N--CA 1.482 1.148 0 C-N-CA 125.227 1.411 . . . . 72.439999999999998 113.02 -178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 52.4 mtmt -59.17 -46.58 88.02 Favored 'General case' 0 N--CA 1.48 1.057 0 O-C-N 123.833 0.708 . . . . 71.319999999999993 111.369 -175.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 48.9 mm-40 -65.88 -39.75 90.96 Favored 'General case' 0 C--O 1.242 0.67 0 O-C-N 123.816 0.698 . . . . 72.400000000000006 111.34 -177.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.433 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 82.4 mt -63.7 -43.9 98.2 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 C-N-CA 123.575 0.75 . . . . 73.420000000000002 110.937 178.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -66.45 -39.94 89.13 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 123.346 0.658 . . . . 60.140000000000001 111.523 -178.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 22.4 mm-40 -64.61 -37.45 87.63 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 123.717 0.635 . . . . 73.150000000000006 110.953 175.295 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 68.3 t80 -64.97 -42.97 94.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 123.994 0.917 . . . . 72.340000000000003 109.727 177.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.433 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 52.0 mt-10 -60.71 -64.19 1.04 Allowed 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.821 0.848 . . . . 64.120000000000005 111.56 178.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 ptp85 -65.15 -29.23 70.05 Favored 'General case' 0 C--N 1.35 0.624 0 O-C-N 124.078 0.861 . . . . 75.239999999999995 112.023 -171.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -66.63 -47.18 73.41 Favored 'General case' 0 CA--C 1.554 1.119 0 O-C-N 122.994 0.184 . . . . 75.140000000000001 111.243 172.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.601 ' HE3' HG21 ' A' ' 31' ' ' VAL . 23.2 mmt -64.53 -37.16 86.6 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 122.549 0.34 . . . . 62.0 111.304 177.323 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -66.36 -42.67 87.69 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 123.938 0.895 . . . . 64.099999999999994 110.807 176.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.463 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 28.0 t70 -63.55 -45.62 89.69 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.106 -0.701 . . . . 54.310000000000002 109.106 -178.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 57.0 tp -58.88 -38.3 78.5 Favored 'General case' 0 C--N 1.357 0.921 0 O-C-N 124.545 1.153 . . . . 63.219999999999999 110.936 175.781 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -58.29 -47.36 83.88 Favored 'General case' 0 C--N 1.354 0.792 0 O-C-N 123.633 0.583 . . . . 70.319999999999993 111.579 177.322 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -67.16 -45.47 76.92 Favored 'General case' 0 CA--C 1.556 1.19 0 N-CA-C 111.875 0.324 . . . . 64.519999999999996 111.875 175.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 29.6 mtpp -50.61 -48.14 57.96 Favored 'General case' 0 N--CA 1.494 1.74 0 C-N-CA 123.985 0.914 . . . . 70.430000000000007 112.148 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 70.5 p -94.9 -9.66 33.52 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.39 -0.823 . . . . 73.420000000000002 111.918 -177.449 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.51 27.88 70.49 Favored Glycine 0 C--N 1.356 1.67 0 O-C-N 123.312 0.383 . . . . 44.130000000000003 113.619 -177.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.409 HG22 ' HA ' ' A' ' 52' ' ' ALA . 10.2 m -100.19 176.14 0.82 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.851 0 C-N-CA 123.49 0.716 . . . . 65.349999999999994 109.173 175.741 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 32.8 mm-40 -116.65 157.6 25.12 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.158 0.583 . . . . 71.140000000000001 110.26 175.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.435 HG23 ' HB2' ' A' ' 52' ' ' ALA . 28.2 pt -113.32 170.47 4.35 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 122.981 0.512 . . . . 53.009999999999998 110.19 175.193 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.607 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 24.3 tp60 -135.15 100.66 4.62 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 109.032 -0.729 . . . . 61.509999999999998 109.032 177.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -85.47 122.91 30.29 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 109.528 -0.545 . . . . 71.239999999999995 109.528 176.612 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 57.1 tt0 -131.75 118.95 20.63 Favored 'General case' 0 C--O 1.234 0.264 0 N-CA-C 107.715 -1.217 . . . . 74.299999999999997 107.715 175.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -91.12 118.39 30.39 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 109.107 -0.701 . . . . 74.0 109.107 177.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 55.6 tp60 -105.19 82.74 1.88 Allowed 'General case' 0 CA--C 1.54 0.56 0 N-CA-C 106.786 -1.561 . . . . 71.140000000000001 106.786 178.613 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.26 -80.76 0.84 Allowed Glycine 0 CA--C 1.531 1.062 0 CA-C-N 115.654 -0.703 . . . . 25.210000000000001 112.637 -176.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 -135.92 6.24 3.13 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.552 1.141 . . . . 74.25 110.398 -177.759 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.519 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 74.7 mmtt -112.3 129.92 56.12 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 108.734 -0.839 . . . . 71.150000000000006 108.734 -176.514 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 58.5 tp -95.84 116.61 29.16 Favored 'General case' 0 N--CA 1.469 0.475 0 CA-C-O 121.203 0.525 . . . . 73.239999999999995 110.791 -178.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.414 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 25.3 ttm105 -101.6 114.73 29.03 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.688 1.195 . . . . 40.130000000000003 108.701 172.506 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.0 mt -110.19 116.27 51.88 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.798 0 N-CA-C 108.316 -0.994 . . . . 64.349999999999994 108.316 173.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.607 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 42.6 ttm180 -95.74 126.11 40.78 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 108.681 -0.859 . . . . 61.340000000000003 108.681 177.147 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.515 ' HB3' HD11 ' A' ' 23' ' ' ILE . 35.5 mt -110.11 141.2 43.3 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 124.76 1.224 . . . . 72.329999999999998 108.751 -173.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 7.1 ptpt -127.22 161.56 28.26 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.134 0.574 . . . . 72.510000000000005 111.358 -179.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -77.76 -24.58 64.45 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-O 119.383 -0.676 . . . . 75.420000000000002 113.498 -178.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 29.3 t -173.56 166.93 4.63 Favored 'General case' 0 N--CA 1.486 1.329 0 C-N-CA 123.183 0.593 . . . . 74.400000000000006 111.388 179.72 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD23 ' HA ' ' A' ' 76' ' ' LEU . 12.9 mt -144.65 152.62 40.74 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.789 1.236 . . . . 70.329999999999998 109.15 164.704 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -77.99 -27.14 48.95 Favored 'General case' 0 N--CA 1.479 0.981 0 CA-C-N 114.912 -1.04 . . . . 74.430000000000007 109.536 170.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 -75.15 -2.16 26.43 Favored 'General case' 0 N--CA 1.483 1.199 0 C-N-CA 123.917 0.887 . . . . 74.430000000000007 112.897 -176.165 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -98.74 100.41 11.62 Favored 'General case' 0 CA--C 1.544 0.719 0 N-CA-C 106.999 -1.482 . . . . 71.510000000000005 106.999 170.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -61.63 126.14 26.28 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.889 0.876 . . . . 74.540000000000006 111.978 -168.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 48.2 m80 -75.31 97.09 3.5 Favored 'General case' 0 N--CA 1.475 0.815 0 N-CA-C 108.606 -0.887 . . . . 63.210000000000001 108.606 177.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 34.3 m80 -76.64 144.68 39.32 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 123.503 0.721 . . . . 75.239999999999995 111.225 -172.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 33.7 m80 . . . . . 0 N--CA 1.478 0.963 0 C-N-CA 124.396 1.078 . . . . 65.340000000000003 108.788 177.012 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 58.1 mtt . . . . . 0 N--CA 1.486 1.355 0 N-CA-C 109.325 -0.62 . . . . 71.25 109.325 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 61.26 53.68 42.59 Favored Glycine 0 C--N 1.35 1.308 0 O-C-N 123.777 0.673 . . . . 41.240000000000002 112.219 -178.85 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -74.07 122.29 22.44 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 123.414 0.685 . . . . 50.130000000000003 109.998 -175.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.5 m -75.87 84.76 2.81 Favored 'General case' 0 C--O 1.242 0.703 0 N-CA-C 109.089 -0.708 . . . . 73.209999999999994 109.089 176.431 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.4 ptm180 -71.73 161.68 30.61 Favored 'General case' 0 C--O 1.25 1.085 0 CA-C-N 115.08 -0.963 . . . . 70.420000000000002 110.979 178.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.412 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 41.5 m -112.99 105.26 13.27 Favored 'General case' 0 C--O 1.237 0.407 0 N-CA-C 107.665 -1.235 . . . . 61.409999999999997 107.665 177.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.586 ' HB ' HG12 ' A' ' 31' ' ' VAL . 59.8 mt -90.83 106.89 17.96 Favored 'Isoleucine or valine' 0 C--O 1.238 0.491 0 N-CA-C 108.011 -1.107 . . . . 64.319999999999993 108.011 -175.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.6 p -99.57 105.13 16.98 Favored 'General case' 0 CA--C 1.541 0.629 0 N-CA-C 108.044 -1.095 . . . . 50.310000000000002 108.044 -175.807 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 36.1 t -136.07 148.61 48.39 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.995 0.518 . . . . 70.510000000000005 110.445 -177.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 46.0 mt-30 -84.21 -4.52 58.87 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.15 0.98 . . . . 73.319999999999993 111.063 176.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -114.45 113.9 25.11 Favored 'General case' 0 N--CA 1.473 0.692 0 N-CA-C 108.48 -0.933 . . . . 73.430000000000007 108.48 179.145 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.86 -20.66 52.65 Favored 'General case' 0 N--CA 1.481 1.114 0 N-CA-C 113.729 1.011 . . . . 75.209999999999994 113.729 -177.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.8 mt-10 -64.47 -52.06 59.91 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.505 0.722 . . . . 74.310000000000002 110.635 -178.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -64.89 -27.87 69.15 Favored 'General case' 0 N--CA 1.48 1.026 0 CA-C-N 115.259 -0.882 . . . . 64.310000000000002 111.469 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 89.1 mt -62.7 -34.44 77.14 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.899 0.48 . . . . 73.140000000000001 110.574 174.724 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.482 HD21 ' HB3' ' A' ' 47' ' ' ASP . 33.4 mt -68.32 -49.39 60.67 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 124.011 0.82 . . . . 73.319999999999993 109.682 176.501 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -59.5 -49.8 76.39 Favored 'General case' 0 N--CA 1.478 0.968 0 CA-C-N 114.387 -1.279 . . . . 72.530000000000001 111.966 -175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 65.9 mt -66.14 -45.37 90.49 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.94 0 C-N-CA 123.327 0.651 . . . . 63.340000000000003 110.064 179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.619 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -60.19 -39.21 85.72 Favored 'General case' 0 N--CA 1.475 0.812 0 N-CA-C 112.291 0.478 . . . . 44.130000000000003 112.291 -176.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 44.3 tp -55.52 -36.72 67.05 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.353 1.061 . . . . 61.439999999999998 111.819 -178.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.1 -34.32 77.37 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.875 -0.602 . . . . 45.210000000000001 110.482 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -72.11 -41.97 66.62 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.533 0.733 . . . . 74.219999999999999 109.715 179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.428 HG12 ' O ' ' A' ' 19' ' ' ALA . 26.6 mm -63.63 -41.71 93.55 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 N-CA-C 109.143 -0.688 . . . . 61.399999999999999 109.143 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.5 t -58.01 -33.73 69.26 Favored 'General case' 0 CA--C 1.548 0.903 0 C-N-CA 124.677 1.191 . . . . 74.510000000000005 112.139 177.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -88.22 -18.9 27.65 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 123.669 0.787 . . . . 65.109999999999999 111.838 178.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.41 7.09 73.05 Favored Glycine 0 N--CA 1.475 1.256 0 N-CA-C 112.401 -0.28 . . . . 62.020000000000003 112.401 -173.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 93.0 mt -80.75 142.12 34.12 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 108.25 -1.019 . . . . 52.140000000000001 108.25 175.586 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 12.7 p-10 -90.8 155.72 18.57 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.451 -0.574 . . . . 73.120000000000005 109.451 172.508 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.487 HD21 HD12 ' A' ' 7' ' ' ILE . 60.8 tp -143.56 147.3 34.23 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 108.375 -0.972 . . . . 73.109999999999999 108.375 -174.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 6' ' ' THR . 25.7 tt0 -115.71 120.14 38.37 Favored 'General case' 0 CA--C 1.537 0.465 0 N-CA-C 107.732 -1.21 . . . . 53.329999999999998 107.732 173.547 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.586 HG12 ' HB ' ' A' ' 7' ' ' ILE . 4.9 m -120.81 122.6 68.27 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.564 0 N-CA-C 108.869 -0.789 . . . . 70.140000000000001 108.869 177.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.569 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 37.6 tt0 -105.73 118.4 36.5 Favored 'General case' 0 C--O 1.242 0.673 0 N-CA-C 108.14 -1.059 . . . . 75.129999999999995 108.14 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -78.81 106.63 10.95 Favored 'General case' 0 C--O 1.24 0.58 0 N-CA-C 108.065 -1.087 . . . . 75.209999999999994 108.065 173.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -78.35 89.51 4.37 Favored 'General case' 0 C--O 1.238 0.498 0 C-N-CA 123.738 0.815 . . . . 61.32 109.023 -176.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 46.6 t -168.11 155.05 7.85 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 114.734 -1.121 . . . . 74.129999999999995 109.1 179.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.497 HG22 ' HB3' ' A' ' 66' ' ' ASN . 73.0 p -118.04 7.29 12.21 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 124.064 0.945 . . . . 50.229999999999997 110.492 173.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -90.35 114.56 26.67 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 124.05 0.94 . . . . 74.310000000000002 108.681 -175.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.457 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 8.4 m-20 -51.64 -43.8 62.76 Favored 'General case' 0 N--CA 1.485 1.289 0 O-C-N 124.247 0.967 . . . . 72.439999999999998 113.13 -175.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 25.4 mtpp -60.5 -56.89 15.98 Favored 'General case' 0 N--CA 1.486 1.336 0 C-N-CA 123.63 0.772 . . . . 73.409999999999997 112.598 -171.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -70.73 -27.96 64.36 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 122.669 0.387 . . . . 71.519999999999996 111.567 -179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 46.6 mt -63.3 -41.05 91.33 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.9 0 C-N-CA 123.157 0.583 . . . . 54.219999999999999 110.571 170.623 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.457 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 40.2 mt-10 -64.0 -40.27 95.98 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 123.407 0.683 . . . . 74.299999999999997 110.359 179.075 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -54.72 -49.42 70.79 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-N 115.551 -0.75 . . . . 75.120000000000005 110.461 172.191 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.458 ' HD2' HD23 ' A' ' 68' ' ' LEU . 41.0 t80 -61.32 -35.04 76.28 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.408 0.683 . . . . 74.200000000000003 111.541 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -59.35 -58.91 6.54 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 123.11 0.564 . . . . 74.200000000000003 111.003 176.246 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.7 ptm180 -68.96 -37.93 79.11 Favored 'General case' 0 N--CA 1.481 1.11 0 O-C-N 123.422 0.452 . . . . 74.340000000000003 111.739 -175.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.482 ' HB3' HD21 ' A' ' 16' ' ' LEU . 3.5 m-20 -57.56 -41.09 80.36 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.93 0.492 . . . . 64.310000000000002 111.48 176.523 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.704 ' SD ' HD11 ' A' ' 72' ' ' LEU . 18.6 mmt -75.76 -31.34 59.5 Favored 'General case' 0 N--CA 1.489 1.52 0 C-N-CA 122.954 0.501 . . . . 65.319999999999993 111.937 176.322 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -65.77 -58.23 6.13 Favored 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.158 0.583 . . . . 73.319999999999993 110.687 175.404 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -52.24 -43.47 64.34 Favored 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.597 1.159 . . . . 61.340000000000003 110.974 175.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 50.7 tp -58.37 -51.35 70.17 Favored 'General case' 0 N--CA 1.482 1.142 0 O-C-N 123.761 0.663 . . . . 61.210000000000001 110.453 176.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.55 -35.1 78.38 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.274 1.03 . . . . 55.030000000000001 112.255 -178.114 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.65 -54.18 35.84 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.249 0.62 . . . . 63.130000000000003 110.163 176.497 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -68.79 -19.28 64.3 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 123.364 0.666 . . . . 75.209999999999994 112.366 -176.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 ' OG1' HG22 ' A' ' 57' ' ' VAL . 42.0 p -99.86 -13.39 19.21 Favored 'General case' 0 N--CA 1.482 1.133 0 C-N-CA 123.134 0.574 . . . . 65.340000000000003 111.273 174.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 71.31 23.66 77.82 Favored Glycine 0 N--CA 1.477 1.403 0 N-CA-C 114.269 0.468 . . . . 74.129999999999995 114.269 179.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG22 ' OG1' ' A' ' 55' ' ' THR . 14.1 m -109.38 174.38 1.78 Allowed 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 123.692 0.797 . . . . 65.329999999999998 110.737 -177.765 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -108.35 152.28 24.86 Favored 'General case' 0 N--CA 1.484 1.225 0 C-N-CA 123.11 0.564 . . . . 74.310000000000002 110.342 178.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.484 HD11 ' HE3' ' A' ' 61' ' ' LYS . 16.4 pt -110.72 160.53 9.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.953 0 C-N-CA 123.497 0.719 . . . . 73.150000000000006 109.372 175.301 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 8.7 tp-100 -132.56 100.52 4.99 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.935 -0.765 . . . . 75.099999999999994 108.935 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.484 ' HE3' HD11 ' A' ' 59' ' ' ILE . 97.2 mttt -83.09 115.71 22.0 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 109.239 -0.652 . . . . 51.229999999999997 109.239 179.715 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -115.85 99.65 7.44 Favored 'General case' 0 C--O 1.238 0.487 0 C-N-CA 124.962 1.305 . . . . 71.129999999999995 108.33 175.712 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 93.9 m95 -72.13 97.24 1.9 Allowed 'General case' 0 C--O 1.236 0.347 0 N-CA-C 109.071 -0.715 . . . . 71.239999999999995 109.071 172.289 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 48.0 tp60 -100.86 93.28 5.45 Favored 'General case' 0 C--O 1.239 0.542 0 N-CA-C 107.869 -1.16 . . . . 73.349999999999994 107.869 -175.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.88 -76.31 1.92 Allowed Glycine 0 CA--C 1.528 0.905 0 CA-C-N 115.197 -0.911 . . . . 73.430000000000007 111.179 -171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.497 ' HB3' HG22 ' A' ' 36' ' ' THR . 0.2 OUTLIER -160.61 22.74 0.15 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 125.039 1.335 . . . . 73.140000000000001 107.55 177.882 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 73.1 mmtt -106.51 128.91 54.47 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 107.287 -1.375 . . . . 72.430000000000007 107.287 178.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.458 HD23 ' HD2' ' A' ' 44' ' ' PHE . 51.0 tp -88.55 94.71 9.97 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 108.92 -0.77 . . . . 75.230000000000004 108.92 178.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.569 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.3 ttm180 -92.86 106.82 18.73 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 114.985 -1.007 . . . . 74.109999999999999 108.302 177.19 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 45.5 mt -106.37 117.33 51.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.621 0 N-CA-C 108.976 -0.75 . . . . 74.450000000000003 108.976 179.81 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 35.7 ttt180 -96.26 121.97 38.61 Favored 'General case' 0 C--O 1.237 0.427 0 N-CA-C 108.502 -0.925 . . . . 60.43 108.502 177.063 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.704 HD11 ' SD ' ' A' ' 48' ' ' MET . 71.0 mt -102.69 155.85 18.03 Favored 'General case' 0 C--O 1.235 0.33 0 C-N-CA 124.662 1.185 . . . . 71.349999999999994 109.712 -179.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.417 ' HD3' HD23 ' A' ' 76' ' ' LEU . 8.5 ptpt -137.15 160.46 38.92 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 124.594 1.158 . . . . 71.209999999999994 110.029 176.358 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -107.53 -86.64 1.86 Allowed Glycine 0 C--N 1.339 0.698 0 N-CA-C 109.286 -1.526 . . . . 44.509999999999998 109.286 173.304 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 17.3 p -87.39 98.01 11.13 Favored 'General case' 0 CA--C 1.546 0.791 0 N-CA-C 108.445 -0.946 . . . . 70.239999999999995 108.445 173.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.417 HD23 ' HD3' ' A' ' 73' ' ' LYS . 2.5 tm? -81.31 -46.82 14.15 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 123.679 0.792 . . . . 71.109999999999999 110.089 -178.08 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -128.99 -162.7 1.22 Allowed 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 124.755 1.222 . . . . 72.439999999999998 109.874 -178.407 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -53.96 127.42 26.25 Favored 'General case' 0 N--CA 1.483 1.211 0 C-N-CA 124.227 1.011 . . . . 71.299999999999997 112.698 -173.153 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -149.64 92.87 1.97 Allowed 'General case' 0 N--CA 1.485 1.317 0 C-N-CA 125.219 1.407 . . . . 73.230000000000004 109.265 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 33.4 m80 -75.6 -31.11 59.81 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.245 -0.65 . . . . 75.430000000000007 109.245 168.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 51.4 m-70 -129.93 174.68 9.52 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 125.022 1.329 . . . . 72.519999999999996 109.955 179.009 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 6.8 p80 -154.39 133.71 12.61 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.463 -0.94 . . . . 73.519999999999996 108.463 171.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 60.1 t-80 . . . . . 0 CA--C 1.548 0.878 0 N-CA-C 109.457 -0.571 . . . . 63.130000000000003 109.457 -179.031 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.8 ttt . . . . . 0 N--CA 1.479 1.01 0 N-CA-C 109.322 -0.622 . . . . 65.010000000000005 109.322 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.76 31.49 0.07 OUTLIER Glycine 0 C--N 1.339 0.742 0 O-C-N 123.605 0.566 . . . . 51.299999999999997 112.37 178.603 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 tt -74.49 123.71 25.25 Favored 'General case' 0 C--N 1.353 0.734 0 N-CA-C 108.228 -1.027 . . . . 75.319999999999993 108.228 179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.9 m -79.39 93.49 5.36 Favored 'General case' 0 C--N 1.347 0.493 0 N-CA-C 108.953 -0.758 . . . . 63.200000000000003 108.953 178.499 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 14.0 ptm180 -79.46 153.71 29.44 Favored 'General case' 0 C--O 1.248 0.99 0 CA-C-N 115.783 -0.644 . . . . 72.239999999999995 109.79 169.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.8 m -120.12 126.49 50.84 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 109.478 -0.564 . . . . 75.129999999999995 109.478 -179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.519 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.5 mt -113.4 118.24 57.6 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.57 0 C-N-CA 123.725 0.81 . . . . 74.239999999999995 109.637 -177.216 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 26.6 p -104.04 107.76 18.81 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 108.445 -0.946 . . . . 62.399999999999999 108.445 176.748 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.0 m -136.31 153.79 51.05 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.101 0.56 . . . . 61.229999999999997 109.966 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.2 mt-30 -93.7 -5.92 47.41 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 123.666 0.786 . . . . 51.509999999999998 112.449 -175.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.5 HD21 ' HB2' ' A' ' 13' ' ' GLU . 42.2 t30 -115.68 123.4 48.24 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 109.43 -0.582 . . . . 73.319999999999993 109.43 178.652 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.528 ' HE2' ' HB3' ' A' ' 43' ' ' GLU . 0.0 OUTLIER -66.98 -30.41 70.52 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.482 -0.781 . . . . 65.150000000000006 111.755 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.5 ' HB2' HD21 ' A' ' 11' ' ' ASN . 40.1 mt-10 -68.65 -48.57 63.66 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.788 0.835 . . . . 61.039999999999999 111.575 -175.291 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -60.42 -37.32 80.5 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 123.347 0.405 . . . . 63.539999999999999 110.026 178.306 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 87.9 mt -66.28 -29.72 70.0 Favored 'General case' 0 C--N 1.35 0.601 0 CA-C-N 114.869 -1.06 . . . . 52.130000000000003 111.666 176.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.478 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.8 mt -70.95 -41.61 70.87 Favored 'General case' 0 N--CA 1.487 1.403 0 O-C-N 123.61 0.569 . . . . 51.140000000000001 110.451 178.325 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -62.97 -49.5 74.47 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.133 0.895 . . . . 64.340000000000003 110.896 179.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.506 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 64.0 mt -67.6 -39.99 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 CA-C-N 115.762 -0.653 . . . . 55.420000000000002 110.512 179.808 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.35 -51.06 69.69 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.008 0.523 . . . . 73.209999999999994 111.109 176.016 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.6 tp -54.13 -37.61 64.55 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 124.87 1.268 . . . . 72.310000000000002 112.12 -174.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.506 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -69.08 -36.29 77.43 Favored 'General case' 0 N--CA 1.483 1.188 0 O-C-N 123.485 0.49 . . . . 64.150000000000006 110.925 -178.475 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.5 m-85 -74.15 -44.97 51.58 Favored 'General case' 0 N--CA 1.487 1.42 0 C-N-CA 122.755 0.422 . . . . 71.420000000000002 110.317 178.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 50.7 mm -66.53 -36.5 77.45 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.872 0 C-N-CA 123.51 0.724 . . . . 45.329999999999998 109.832 -175.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.4 t -52.6 -43.48 65.38 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.715 1.206 . . . . 64.019999999999996 111.769 172.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -87.09 -1.27 57.76 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.554 0.742 . . . . 61.340000000000003 112.123 -177.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 74.99 18.45 80.2 Favored Glycine 0 C--N 1.354 1.565 0 O-C-N 123.476 0.485 . . . . 71.319999999999993 112.579 -177.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.8 mt -92.12 143.32 26.56 Favored 'General case' 0 C--O 1.242 0.676 0 C-N-CA 124.189 0.996 . . . . 74.030000000000001 109.618 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -86.15 152.81 22.53 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.384 0.612 . . . . 63.219999999999999 109.827 174.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.1 tp -146.56 143.63 29.02 Favored 'General case' 0 C--N 1.322 -0.604 0 N-CA-C 107.452 -1.314 . . . . 73.140000000000001 107.452 -176.573 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -112.36 128.49 56.31 Favored 'General case' 0 N--CA 1.467 0.415 0 N-CA-C 109.01 -0.737 . . . . 74.230000000000004 109.01 172.428 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.519 HG12 ' HB ' ' A' ' 7' ' ' ILE . 5.2 m -129.32 119.72 49.33 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.635 0 C-N-CA 124.103 0.961 . . . . 73.510000000000005 109.464 178.47 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.468 ' HB3' HG22 ' A' ' 8' ' ' THR . 43.2 tt0 -103.35 119.06 38.17 Favored 'General case' 0 C--O 1.241 0.618 0 N-CA-C 107.705 -1.22 . . . . 35.32 107.705 174.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -78.01 104.19 8.41 Favored 'General case' 0 C--O 1.248 1.006 0 N-CA-C 108.15 -1.055 . . . . 71.430000000000007 108.15 178.393 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.3 t70 -77.71 86.98 3.98 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.32 -0.854 . . . . 71.310000000000002 108.814 -175.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.6 t -163.28 153.19 15.51 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.059 -0.973 . . . . 70.140000000000001 110.385 -179.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.465 HG22 ' HB3' ' A' ' 66' ' ' ASN . 30.2 p -122.43 16.34 10.49 Favored 'General case' 0 CA--C 1.546 0.802 0 C-N-CA 124.536 1.134 . . . . 65.120000000000005 110.005 172.294 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -101.32 110.43 22.44 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 124.016 0.926 . . . . 55.030000000000001 108.78 178.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.456 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 48.6 m-20 -57.77 -34.85 70.0 Favored 'General case' 0 N--CA 1.482 1.173 0 O-C-N 123.952 0.782 . . . . 64.519999999999996 112.828 -172.932 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 10.3 mtmp? -59.39 -54.57 45.22 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 123.912 0.757 . . . . 65.430000000000007 111.071 -175.095 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -75.28 -24.83 57.59 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 112.141 0.422 . . . . 62.43 112.141 179.084 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 73.5 mt -64.31 -39.5 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.265 0 C-N-CA 122.6 0.36 . . . . 70.150000000000006 110.351 173.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 55.3 mt-10 -64.08 -36.68 84.82 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 122.976 0.51 . . . . 75.409999999999997 110.402 176.266 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.528 ' HB3' ' HE2' ' A' ' 12' ' ' LYS . 45.0 mm-40 -64.45 -37.36 87.24 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.158 0.911 . . . . 72.209999999999994 110.993 175.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.418 ' HD2' HD23 ' A' ' 68' ' ' LEU . 85.2 t80 -68.06 -41.9 81.29 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.258 -0.428 . . . . 74.019999999999996 109.991 177.747 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -59.83 -63.12 1.41 Allowed 'General case' 0 N--CA 1.471 0.618 0 O-C-N 123.839 0.712 . . . . 72.030000000000001 110.713 177.389 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.9 ptm180 -57.18 -41.48 79.37 Favored 'General case' 0 N--CA 1.476 0.827 0 O-C-N 123.988 0.805 . . . . 74.030000000000001 111.607 -172.266 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' HB3' HD21 ' A' ' 16' ' ' LEU . 4.5 m-20 -73.29 -38.89 65.74 Favored 'General case' 0 CA--C 1.545 0.773 0 N-CA-C 113.627 0.973 . . . . 75.230000000000004 113.627 -179.584 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 18.0 mmt -69.8 -37.21 76.21 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-N 118.363 0.529 . . . . 74.129999999999995 111.001 176.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -65.6 -41.89 92.28 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.227 -0.897 . . . . 71.040000000000006 109.684 172.356 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -59.12 -46.95 87.02 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.14 0.976 . . . . 70.349999999999994 109.61 179.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.8 tp -59.01 -42.3 89.78 Favored 'General case' 0 CA--C 1.542 0.666 0 O-C-N 124.615 1.197 . . . . 61.219999999999999 110.56 175.508 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.435 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -62.17 -36.8 82.98 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.542 0.737 . . . . 73.239999999999995 112.077 178.229 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.98 -54.71 16.45 Favored 'General case' 0 N--CA 1.484 1.243 0 N-CA-C 110.362 -0.236 . . . . 60.520000000000003 110.362 172.717 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.9 mtpp -53.14 -37.56 61.93 Favored 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.967 1.307 . . . . 75.430000000000007 113.24 -175.315 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 77.0 p -103.52 -11.19 17.93 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.254 0.622 . . . . 72.549999999999997 111.469 -178.277 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.02 29.21 67.21 Favored Glycine 0 C--N 1.352 1.428 0 O-C-N 123.595 0.559 . . . . 74.340000000000003 114.108 -178.341 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.435 HG22 ' HA ' ' A' ' 52' ' ' ALA . 18.9 m -102.31 177.17 0.81 Allowed 'Isoleucine or valine' 0 N--CA 1.479 1.025 0 C-N-CA 123.35 0.66 . . . . 72.239999999999995 110.975 178.8 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 47.4 mm-40 -111.99 161.4 16.49 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-O 121.722 0.772 . . . . 71.420000000000002 112.024 177.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 31.6 pt -122.97 170.01 13.71 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.837 0 CA-C-N 114.584 -1.189 . . . . 61.32 109.352 173.807 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 21.3 tm0? -139.1 108.31 6.08 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 107.898 -1.149 . . . . 74.329999999999998 107.898 172.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.429 ' HA ' HG12 ' A' ' 70' ' ' ILE . 97.5 mttt -84.83 128.96 34.86 Favored 'General case' 0 C--O 1.241 0.647 0 N-CA-C 109.543 -0.54 . . . . 70.319999999999993 109.543 176.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -131.68 128.26 38.64 Favored 'General case' 0 C--N 1.328 -0.336 0 N-CA-C 107.657 -1.238 . . . . 75.129999999999995 107.657 170.124 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -90.14 105.5 17.85 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 108.605 -0.887 . . . . 61.32 108.605 174.51 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 58.9 tp60 -99.05 84.52 3.07 Favored 'General case' 0 C--O 1.238 0.466 0 N-CA-C 105.93 -1.878 . . . . 61.240000000000002 105.93 178.198 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 68.99 -123.14 14.27 Favored Glycine 0 CA--C 1.525 0.697 0 N-CA-C 109.542 -1.423 . . . . 43.149999999999999 109.542 -160.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.465 ' HB3' HG22 ' A' ' 36' ' ' THR . 59.5 t30 -101.07 -4.88 26.54 Favored 'General case' 0 CA--C 1.556 1.179 0 C-N-CA 123.655 0.782 . . . . 75.439999999999998 110.553 172.759 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -72.49 123.65 23.57 Favored 'General case' 0 C--N 1.359 0.98 0 N-CA-C 109.351 -0.611 . . . . 72.239999999999995 109.351 172.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.418 HD23 ' HD2' ' A' ' 44' ' ' PHE . 35.4 tp -91.2 100.43 13.25 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-O 121.438 0.637 . . . . 74.329999999999998 110.616 -177.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.458 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 38.8 ttt180 -89.31 109.1 20.03 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-N 114.938 -1.028 . . . . 74.120000000000005 109.411 175.825 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 41.6 mt -116.51 126.45 73.98 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 122.522 0.329 . . . . 51.219999999999999 110.16 178.243 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.0 ttm180 -98.23 130.32 44.95 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 109.193 -0.669 . . . . 65.219999999999999 109.193 169.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 36.1 mt -101.54 144.19 30.6 Favored 'General case' 0 C--N 1.322 -0.592 0 C-N-CA 125.484 1.514 . . . . 72.439999999999998 107.887 177.401 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.446 ' NZ ' ' HB2' ' A' ' 60' ' ' GLN . 0.2 OUTLIER -134.82 -178.35 5.04 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 122.524 0.33 . . . . 71.510000000000005 111.026 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -94.95 -112.72 2.57 Favored Glycine 0 CA--C 1.529 0.95 0 N-CA-C 111.564 -0.615 . . . . 62.009999999999998 111.564 171.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 38.2 m -86.98 130.44 34.45 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 123.421 0.688 . . . . 70.430000000000007 111.822 -171.373 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 13.9 mt -127.83 136.74 51.85 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.501 0.721 . . . . 43.009999999999998 110.927 173.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 35.21 50.35 0.5 Allowed 'General case' 0 CA--C 1.555 1.152 0 C-N-CA 127.232 2.213 . . . . 73.109999999999999 115.636 165.009 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 25.6 m80 55.48 25.87 8.3 Favored 'General case' 0 N--CA 1.485 1.324 0 N-CA-C 114.791 1.404 . . . . 73.019999999999996 114.791 160.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 3.5 p-80 -76.58 16.45 0.5 Allowed 'General case' 0 N--CA 1.487 1.399 0 N-CA-C 112.963 0.727 . . . . 65.420000000000002 112.963 -177.114 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -92.81 15.73 14.02 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.97 0.908 . . . . 60.5 110.537 162.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -72.04 92.59 1.32 Allowed 'General case' 0 C--N 1.351 0.642 0 N-CA-C 108.546 -0.909 . . . . 74.349999999999994 108.546 175.262 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 9.9 t60 -72.6 116.87 13.58 Favored 'General case' 0 CA--C 1.539 0.525 0 N-CA-C 109.099 -0.704 . . . . 74.319999999999993 109.099 -179.258 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 . . . . . 0 C--O 1.25 1.109 0 N-CA-C 108.435 -0.95 . . . . 72.120000000000005 108.435 179.614 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.481 1.106 0 CA-C-O 120.869 0.366 . . . . 64.319999999999993 110.282 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.423 ' HA2' HD22 ' A' ' 27' ' ' LEU . . . -92.03 78.35 1.26 Allowed Glycine 0 C--N 1.342 0.895 0 CA-C-N 115.643 -0.708 . . . . 61.119999999999997 112.446 -176.109 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.9 pp -142.75 148.16 36.76 Favored 'General case' 0 C--O 1.241 0.636 0 N-CA-C 108.92 -0.77 . . . . 53.32 108.92 170.057 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 23.4 m -82.8 80.93 8.73 Favored 'General case' 0 C--O 1.239 0.534 0 CA-C-O 121.495 0.664 . . . . 74.120000000000005 109.79 179.094 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.7 ptm180 -75.2 159.48 31.54 Favored 'General case' 0 C--O 1.24 0.58 0 CA-C-N 114.889 -1.05 . . . . 75.319999999999993 109.152 171.451 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.442 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 33.4 m -119.07 111.47 18.33 Favored 'General case' 0 C--O 1.239 0.508 0 C-N-CA 122.986 0.514 . . . . 54.299999999999997 109.836 -174.365 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.426 ' HB ' HG12 ' A' ' 31' ' ' VAL . 61.6 mt -97.56 113.12 31.19 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 N-CA-C 108.376 -0.972 . . . . 73.519999999999996 108.376 -179.042 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.468 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.7 p -111.07 110.67 21.32 Favored 'General case' 0 N--CA 1.471 0.603 0 N-CA-C 108.265 -1.013 . . . . 54.310000000000002 108.265 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.3 t -133.39 151.56 51.84 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-O 121.172 0.51 . . . . 75.549999999999997 111.122 -174.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -88.94 1.99 54.58 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.643 1.177 . . . . 65.230000000000004 110.961 177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.9 t30 -122.73 119.64 31.27 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.166 0.986 . . . . 74.120000000000005 109.215 171.152 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.527 ' HA ' HD12 ' A' ' 15' ' ' LEU . 0.1 OUTLIER -78.61 -18.86 53.9 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 111.941 0.349 . . . . 34.350000000000001 111.941 178.654 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 44.8 mt-10 -69.84 -46.72 64.98 Favored 'General case' 0 N--CA 1.48 1.055 0 C-N-CA 122.867 0.467 . . . . 74.040000000000006 110.9 -177.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -64.59 -29.26 70.27 Favored 'General case' 0 C--O 1.215 -0.752 0 CA-C-N 116.377 -0.374 . . . . 72.530000000000001 110.241 175.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.527 HD12 ' HA ' ' A' ' 12' ' ' LYS . 94.8 mt -62.88 -30.53 71.59 Favored 'General case' 0 C--N 1.356 0.857 0 N-CA-C 110.212 -0.292 . . . . 74.230000000000004 110.212 176.026 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.459 HD23 ' HE3' ' A' ' 48' ' ' MET . 56.8 mt -70.82 -53.19 16.22 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.357 0.663 . . . . 61.240000000000002 109.891 178.241 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -71.91 -41.57 67.76 Favored 'General case' 0 CA--C 1.549 0.908 0 CA-C-N 114.662 -1.154 . . . . 71.310000000000002 112.085 -172.005 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.589 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 91.8 mt -66.51 -43.88 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 109.286 -0.635 . . . . 54.130000000000003 109.286 175.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.472 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.4 -38.94 88.92 Favored 'General case' 0 N--CA 1.479 1.01 0 CA-C-N 117.732 0.242 . . . . 72.530000000000001 111.256 177.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.0 tp -57.1 -36.57 70.78 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.059 0.944 . . . . 75.030000000000001 111.718 -178.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.589 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER -71.14 -31.33 67.58 Favored 'General case' 0 N--CA 1.481 1.088 0 O-C-N 123.374 0.421 . . . . 64.430000000000007 110.847 178.432 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 60.8 m-85 -73.75 -44.77 55.22 Favored 'General case' 0 N--CA 1.487 1.38 0 C-N-CA 123.086 0.554 . . . . 63.140000000000001 110.352 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.0 mm -68.73 -32.67 55.86 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.805 0 N-CA-C 109.488 -0.56 . . . . 75.019999999999996 109.488 -177.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -58.84 -35.74 73.42 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.158 0.983 . . . . 75.319999999999993 111.324 171.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 50.0 mt-30 -86.63 -7.85 57.98 Favored 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 123.866 0.866 . . . . 72.340000000000003 111.576 179.151 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.39 29.2 56.4 Favored Glycine 0 C--N 1.352 1.441 0 N-CA-C 112.72 -0.152 . . . . 73.329999999999998 112.72 -177.36 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.423 HD22 ' HA2' ' A' ' 2' ' ' GLY . 91.8 mt -96.71 141.75 29.56 Favored 'General case' 0 N--CA 1.472 0.639 0 C-N-CA 123.964 0.905 . . . . 75.230000000000004 110.679 -177.393 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.1 t70 -82.87 141.1 32.49 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 108.125 -1.065 . . . . 72.319999999999993 108.125 170.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.413 HD21 HD12 ' A' ' 7' ' ' ILE . 65.4 tp -150.46 137.52 19.34 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 123.995 0.918 . . . . 74.030000000000001 109.0 -171.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.442 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.0 tt0 -108.13 118.45 36.78 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 108.232 -1.025 . . . . 74.120000000000005 108.232 173.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.426 HG12 ' HB ' ' A' ' 7' ' ' ILE . 13.7 m -111.73 152.5 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.093 0 N-CA-C 109.662 -0.496 . . . . 62.130000000000003 109.662 174.142 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -139.61 131.7 27.99 Favored 'General case' 0 C--O 1.241 0.606 0 C-N-CA 124.382 1.073 . . . . 71.420000000000002 108.149 177.622 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . 0.473 ' CE2' ' HB3' ' A' ' 40' ' ' GLU . 3.0 t80 -91.37 113.49 25.77 Favored 'General case' 0 C--O 1.244 0.77 0 N-CA-C 108.155 -1.054 . . . . 73.420000000000002 108.155 171.238 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 35.0 t70 -75.0 83.41 2.24 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 114.71 -1.132 . . . . 71.310000000000002 109.486 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.3 t -161.54 141.12 10.24 Favored 'General case' 0 C--N 1.35 0.619 0 C-N-CA 123.529 0.732 . . . . 65.439999999999998 110.126 -175.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 25.5 p -114.18 11.86 17.62 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.227 1.011 . . . . 71.140000000000001 110.368 170.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -84.83 118.87 24.74 Favored 'General case' 0 N--CA 1.472 0.67 0 N-CA-C 108.142 -1.059 . . . . 73.409999999999997 108.142 177.017 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.437 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 5.5 m-20 -45.07 -52.21 9.28 Favored 'General case' 0 N--CA 1.487 1.392 0 C-N-CA 124.679 1.192 . . . . 63.130000000000003 112.997 -178.603 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -69.52 -38.72 77.68 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.441 0.696 . . . . 71.299999999999997 111.184 -171.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.473 ' HB3' ' CE2' ' A' ' 33' ' ' PHE . 26.2 mm-40 -62.09 -43.85 97.95 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 123.895 0.878 . . . . 74.239999999999995 110.666 176.816 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.423 HG21 ' HH2' ' A' ' 63' ' ' TRP . 89.7 mt -62.7 -40.72 89.58 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.79 0 C-N-CA 124.461 1.104 . . . . 74.219999999999999 110.847 177.206 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.437 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 75.4 mt-10 -64.76 -39.28 93.36 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 123.359 0.664 . . . . 73.030000000000001 111.203 -178.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.501 ' HA ' ' HG2' ' A' ' 46' ' ' ARG . 28.9 mt-10 -71.71 -31.79 67.1 Favored 'General case' 0 CA--C 1.542 0.668 0 O-C-N 123.539 0.525 . . . . 74.439999999999998 111.275 176.565 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -63.22 -41.77 99.16 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 109.404 -0.591 . . . . 72.299999999999997 109.404 173.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -59.46 -60.32 4.03 Favored 'General case' 0 N--CA 1.475 0.79 0 O-C-N 123.838 0.712 . . . . 70.310000000000002 111.472 178.563 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.501 ' HG2' ' HA ' ' A' ' 43' ' ' GLU . 33.0 ptt180 -57.5 -41.81 81.51 Favored 'General case' 0 C--N 1.358 0.952 0 O-C-N 124.307 1.004 . . . . 33.329999999999998 111.164 -173.154 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -72.7 -34.12 66.93 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 113.608 0.966 . . . . 72.239999999999995 113.608 -179.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.561 ' HG3' HD12 ' A' ' 70' ' ' ILE . 21.1 mmt -67.17 -42.18 84.72 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 122.834 0.454 . . . . 65.349999999999994 110.095 173.112 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -64.15 -43.61 94.66 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.804 0.842 . . . . 74.430000000000007 110.108 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -59.42 -49.01 79.44 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 124.743 1.217 . . . . 74.430000000000007 110.379 179.633 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 36.8 tp -60.57 -39.97 89.95 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 124.421 1.076 . . . . 71.140000000000001 110.626 176.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.406 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -64.9 -40.95 95.9 Favored 'General case' 0 C--N 1.354 0.775 0 C-N-CA 123.479 0.711 . . . . 70.099999999999994 112.338 179.204 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.77 -49.31 75.5 Favored 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 109.905 -0.406 . . . . 74.140000000000001 109.905 176.53 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 87.0 mttt -51.98 -50.18 61.8 Favored 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.242 1.017 . . . . 72.439999999999998 111.867 179.282 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 80.9 p -85.96 -12.18 51.12 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 114.762 -1.108 . . . . 73.349999999999994 111.508 -174.707 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.19 12.37 84.41 Favored Glycine 0 C--N 1.355 1.592 0 CA-C-O 119.471 -0.627 . . . . 72.420000000000002 114.042 -178.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.406 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.8 m -95.66 173.38 0.94 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.355 0 C-N-CA 123.21 0.604 . . . . 65.120000000000005 111.152 -174.017 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.472 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 68.5 mt-30 -107.24 154.32 21.41 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.607 0.763 . . . . 64.209999999999994 109.916 177.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 33.4 pt -114.11 165.13 9.51 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.285 0 C-N-CA 122.794 0.438 . . . . 63.329999999999998 110.307 175.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -137.09 102.1 4.74 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 107.225 -1.398 . . . . 63.119999999999997 107.225 174.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -79.55 115.77 19.37 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 109.451 -0.574 . . . . 53.439999999999998 109.451 177.435 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 51.4 tp60 -124.54 119.54 29.38 Favored 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 124.74 1.216 . . . . 71.540000000000006 108.39 -179.346 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.423 ' HH2' HG21 ' A' ' 41' ' ' ILE . 94.7 m95 -78.86 115.06 18.31 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 109.077 -0.712 . . . . 74.239999999999995 109.077 171.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 17.6 tp60 -102.38 85.22 2.58 Favored 'General case' 0 C--O 1.242 0.687 0 N-CA-C 106.923 -1.51 . . . . 73.430000000000007 106.923 -177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 75.73 -80.7 1.04 Allowed Glycine 0 CA--C 1.532 1.143 0 CA-C-N 115.8 -0.636 . . . . 32.240000000000002 112.261 -175.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 18.0 m120 -137.07 0.38 2.36 Favored 'General case' 0 N--CA 1.489 1.497 0 C-N-CA 123.624 0.77 . . . . 71.329999999999998 110.843 -176.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.5 mmtp -108.23 154.04 22.33 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.869 0.868 . . . . 64.109999999999999 108.886 -177.037 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 48.0 tp -96.08 122.72 39.22 Favored 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 109.34 -0.615 . . . . 75.310000000000002 109.34 172.207 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.471 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 19.7 ttm180 -123.33 109.77 14.33 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 125.116 1.367 . . . . 74.319999999999993 108.308 -177.693 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.561 HD12 ' HG3' ' A' ' 48' ' ' MET . 63.1 mt -109.77 122.71 64.83 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.44 0 N-CA-C 108.632 -0.877 . . . . 64.430000000000007 108.632 -176.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 70.2 ttp85 -95.54 127.27 41.44 Favored 'General case' 0 C--O 1.243 0.715 0 N-CA-C 109.194 -0.669 . . . . 74.549999999999997 109.194 178.497 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.472 HD12 ' HB1' ' A' ' 19' ' ' ALA . 61.9 mt -104.68 136.76 43.61 Favored 'General case' 0 CA--C 1.531 0.217 0 C-N-CA 124.9 1.28 . . . . 52.539999999999999 108.577 179.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.657 ' HG3' HD21 ' A' ' 76' ' ' LEU . 11.7 ptpt -112.63 147.59 36.4 Favored 'General case' 0 C--N 1.315 -0.925 0 C-N-CA 123.766 0.826 . . . . 61.409999999999997 109.747 178.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.09 99.19 1.23 Allowed Glycine 0 C--N 1.344 0.98 0 CA-C-O 119.46 -0.633 . . . . 53.549999999999997 111.912 -169.407 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.0 m 70.1 93.99 0.08 Allowed 'General case' 0 N--CA 1.486 1.351 0 C-N-CA 124.566 1.147 . . . . 73.510000000000005 112.801 171.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.657 HD21 ' HG3' ' A' ' 73' ' ' LYS . 0.4 OUTLIER -120.19 -45.38 2.45 Favored 'General case' 0 N--CA 1.475 0.787 0 C-N-CA 125.146 1.378 . . . . 75.319999999999993 107.384 -176.578 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -54.58 95.32 0.01 OUTLIER 'General case' 0 CA--C 1.561 1.366 0 CA-C-N 112.786 -2.006 . . . . 74.030000000000001 113.424 -175.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 49.2 m80 -73.92 -46.43 44.36 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.998 -1.112 . . . . 74.230000000000004 107.998 167.544 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 36.5 m-70 -101.45 148.39 25.24 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-N 113.919 -1.491 . . . . 62.32 108.17 176.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 63.0 m80 -87.9 112.82 22.94 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 108.993 -0.743 . . . . 54.439999999999998 108.993 175.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 5.6 p80 -62.84 112.22 2.46 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-O 121.572 0.701 . . . . 72.319999999999993 110.835 -175.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 18.6 p80 -77.36 20.0 0.32 Allowed 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 125.233 1.413 . . . . 51.299999999999997 112.589 -177.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.8 t60 . . . . . 0 C--O 1.252 1.196 0 N-CA-C 106.957 -1.497 . . . . 75.230000000000004 106.957 176.594 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.6 tpt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 110.126 -0.324 . . . . 75.510000000000005 110.126 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -157.67 104.32 0.25 Allowed Glycine 0 C--N 1.344 1.001 0 N-CA-C 110.9 -0.88 . . . . 55.130000000000003 110.9 -177.124 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.1 tp -128.44 160.56 31.89 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 124.146 0.978 . . . . 71.430000000000007 109.39 -175.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.8 m -60.0 167.25 2.35 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 124.617 1.167 . . . . 72.329999999999998 111.296 173.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 ptm180 -176.45 163.71 2.49 Favored 'General case' 0 C--O 1.241 0.624 0 C-N-CA 125.34 1.456 . . . . 64.129999999999995 107.34 -176.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.425 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 20.5 m -109.27 127.03 53.95 Favored 'General case' 0 N--CA 1.47 0.533 0 N-CA-C 109.115 -0.698 . . . . 72.299999999999997 109.115 -179.264 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.441 ' HB ' HG12 ' A' ' 31' ' ' VAL . 25.7 mt -110.53 102.6 14.22 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.714 0 N-CA-C 107.953 -1.128 . . . . 74.400000000000006 107.953 174.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 41.1 p -99.13 107.94 20.43 Favored 'General case' 0 N--CA 1.475 0.807 0 N-CA-C 109.055 -0.72 . . . . 64.439999999999998 109.055 179.437 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 35.7 t -136.26 149.24 48.4 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.316 0.646 . . . . 74.019999999999996 109.709 179.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -90.37 8.19 34.77 Favored 'General case' 0 CA--C 1.547 0.859 0 C-N-CA 123.45 0.7 . . . . 72.120000000000005 110.529 172.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 34.7 t30 -116.02 114.77 25.04 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.768 0.827 . . . . 73.239999999999995 109.351 173.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 2.3 pptp? -78.39 -21.0 50.01 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 122.872 0.469 . . . . 65.150000000000006 112.231 -176.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 52.6 mm-40 -59.61 -57.55 12.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.24 0.616 . . . . 74.349999999999994 110.794 178.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.02 -27.0 69.11 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 123.226 0.61 . . . . 71.209999999999994 111.658 -178.569 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.3 mt -66.53 -37.52 85.21 Favored 'General case' 0 CA--C 1.542 0.646 0 C-N-CA 122.663 0.385 . . . . 60.329999999999998 110.121 176.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 74.9 mt -69.67 -47.48 63.13 Favored 'General case' 0 N--CA 1.485 1.275 0 C-N-CA 123.373 0.669 . . . . 70.409999999999997 110.169 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -65.77 -52.96 46.66 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 114.676 -1.147 . . . . 73.010000000000005 112.287 -175.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.1 mt -70.38 -30.3 42.48 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.768 0 CA-C-N 115.952 -0.567 . . . . 72.099999999999994 110.348 -177.505 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.631 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -64.51 -46.13 84.28 Favored 'General case' 0 C--N 1.355 0.835 0 C-N-CA 121.284 -0.167 . . . . 64.540000000000006 111.323 173.093 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.626 HD13 HD11 ' A' ' 51' ' ' LEU . 46.8 tp -56.48 -30.58 63.12 Favored 'General case' 0 CA--C 1.553 1.089 0 C-N-CA 124.078 0.951 . . . . 73.540000000000006 111.292 178.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -62.22 -48.43 80.05 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 124.337 1.055 . . . . 54.539999999999999 110.696 173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 43.5 m-85 -70.53 -32.27 69.66 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 122.824 0.45 . . . . 74.530000000000001 110.356 -178.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.522 HD11 ' HB3' ' A' ' 72' ' ' LEU . 46.7 mm -69.96 -40.24 78.43 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 C-N-CA 123.309 0.644 . . . . 63.039999999999999 109.984 178.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.8 t -64.46 -25.03 67.83 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 123.56 0.744 . . . . 64.439999999999998 111.116 176.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 77.8 mt-30 -89.61 -11.58 42.22 Favored 'General case' 0 CA--C 1.55 0.977 0 C-N-CA 123.662 0.785 . . . . 70.549999999999997 111.804 177.138 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.84 15.93 74.03 Favored Glycine 0 N--CA 1.479 1.509 0 C-N-CA 122.687 0.184 . . . . 62.549999999999997 113.105 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.0 mt -90.91 154.41 19.49 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 123.956 0.902 . . . . 75.109999999999999 111.748 -176.288 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -85.96 135.45 33.66 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 114.662 -1.153 . . . . 72.310000000000002 109.11 169.447 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 52.3 tp -143.12 146.72 34.01 Favored 'General case' 0 N--CA 1.466 0.371 0 N-CA-C 108.485 -0.931 . . . . 70.209999999999994 108.485 -177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 6' ' ' THR . 37.1 tt0 -124.31 118.69 27.34 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 109.631 -0.507 . . . . 74.310000000000002 109.631 173.258 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.441 HG12 ' HB ' ' A' ' 7' ' ' ILE . 18.6 m -101.74 162.84 3.45 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.719 . . . . 70.129999999999995 109.412 172.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.546 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 39.9 tt0 -144.7 121.59 11.3 Favored 'General case' 0 C--O 1.24 0.573 0 N-CA-C 108.166 -1.05 . . . . 72.530000000000001 108.166 174.569 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 32.4 t80 -88.0 101.5 13.83 Favored 'General case' 0 C--O 1.242 0.705 0 N-CA-C 108.734 -0.839 . . . . 74.430000000000007 108.734 172.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -83.48 86.84 7.02 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 115.582 -0.736 . . . . 62.039999999999999 109.114 -179.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 37.8 t -157.91 159.8 36.95 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-O 121.261 0.553 . . . . 75.040000000000006 109.985 175.475 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.405 HG22 ' OD1' ' A' ' 66' ' ' ASN . 49.7 p -106.47 0.78 25.01 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.702 -1.135 . . . . 71.019999999999996 110.471 178.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -85.14 104.74 15.31 Favored 'General case' 0 C--N 1.352 0.715 0 N-CA-C 109.549 -0.538 . . . . 65.049999999999997 109.549 -172.023 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -48.08 -44.4 31.49 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 124.783 1.233 . . . . 65.239999999999995 112.128 -177.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 9.5 mtmp? -56.94 -56.13 25.7 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 123.896 0.748 . . . . 72.25 110.056 -176.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -64.93 -33.1 75.23 Favored 'General case' 0 CA--C 1.549 0.909 0 CA-C-N 115.433 -0.803 . . . . 74.530000000000001 112.165 -176.604 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 86.9 mt -71.87 -41.89 69.4 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 C-N-CA 123.8 0.84 . . . . 61.310000000000002 110.927 -179.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.89 -35.92 81.11 Favored 'General case' 0 N--CA 1.481 1.11 0 C-N-CA 123.461 0.704 . . . . 74.209999999999994 110.518 178.253 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 91.2 mt-10 -66.67 -40.59 88.67 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.434 -0.803 . . . . 74.140000000000001 110.547 172.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.402 ' HD2' HD23 ' A' ' 68' ' ' LEU . 60.7 t80 -62.72 -39.41 93.98 Favored 'General case' 0 N--CA 1.475 0.791 0 C-N-CA 123.329 0.651 . . . . 75.129999999999995 109.72 178.116 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -61.75 -62.47 1.78 Allowed 'General case' 0 N--CA 1.472 0.635 0 C-N-CA 123.929 0.892 . . . . 63.439999999999998 110.994 175.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.4 ptm180 -59.48 -41.5 89.93 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 124.162 0.914 . . . . 62.0 111.293 -171.284 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -64.25 -42.74 96.36 Favored 'General case' 0 N--CA 1.472 0.652 0 C-N-CA 123.467 0.707 . . . . 75.450000000000003 112.425 176.566 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.794 ' SD ' HD11 ' A' ' 72' ' ' LEU . 14.5 mmt -65.66 -37.6 86.97 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 118.161 0.437 . . . . 73.030000000000001 111.756 177.194 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -65.08 -50.77 64.86 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.511 0.724 . . . . 74.129999999999995 111.121 178.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.442 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 27.0 m-20 -66.44 -37.78 85.93 Favored 'General case' 0 N--CA 1.479 0.98 0 C-N-CA 123.374 0.67 . . . . 51.229999999999997 110.899 -179.6 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.626 HD11 HD13 ' A' ' 20' ' ' LEU . 47.9 tp -60.54 -42.76 97.17 Favored 'General case' 0 N--CA 1.478 0.963 0 O-C-N 123.934 0.771 . . . . 74.010000000000005 110.338 175.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.477 ' HA ' HG22 ' A' ' 57' ' ' VAL . . . -63.99 -38.88 92.69 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 123.937 0.773 . . . . 64.400000000000006 111.574 178.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.442 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 27.2 mtpp -62.17 -52.23 64.65 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 123.279 0.632 . . . . 71.439999999999998 110.356 176.503 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -57.51 -42.43 82.75 Favored 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 123.942 0.897 . . . . 73.209999999999994 111.781 -177.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 66.4 p -88.74 -10.88 46.76 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.399 -0.819 . . . . 73.420000000000002 111.765 -176.693 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 68.8 28.91 72.72 Favored Glycine 0 C--N 1.355 1.603 0 CA-C-O 120.032 -0.315 . . . . 43.409999999999997 113.21 -179.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG22 ' HA ' ' A' ' 52' ' ' ALA . 5.4 m -104.88 168.28 2.61 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.143 0 C-N-CA 123.442 0.697 . . . . 73.310000000000002 110.818 176.431 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 18.2 mm-40 -97.79 168.65 10.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.98 0.512 . . . . 73.109999999999999 110.557 177.425 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 32.6 pt -128.56 163.14 33.82 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.111 0 C-N-CA 123.873 0.869 . . . . 52.530000000000001 109.963 176.757 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -147.23 117.24 7.25 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 108.276 -1.009 . . . . 64.040000000000006 108.276 168.355 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -93.59 112.98 24.98 Favored 'General case' 0 CA--C 1.539 0.527 0 N-CA-C 108.865 -0.791 . . . . 74.549999999999997 108.865 178.568 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -104.58 99.09 8.77 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.813 1.245 . . . . 73.540000000000006 108.894 172.33 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 83.1 m95 -75.01 106.51 6.54 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 107.79 -1.189 . . . . 70.349999999999994 107.79 171.157 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 59.8 tp60 -101.41 81.84 2.24 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 108.098 -1.075 . . . . 72.349999999999994 108.098 -169.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.69 -63.67 4.33 Favored Glycine 0 CA--C 1.534 1.264 0 CA-C-N 115.362 -0.836 . . . . 55.240000000000002 113.036 -177.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.405 ' OD1' HG22 ' A' ' 36' ' ' THR . 24.4 t-20 -141.22 -48.13 0.4 Allowed 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.203 1.001 . . . . 62.140000000000001 109.0 179.736 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 30.0 mmtp -72.28 150.38 43.64 Favored 'General case' 0 N--CA 1.482 1.14 0 CA-C-N 115.187 -0.915 . . . . 74.120000000000005 110.415 -174.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.402 HD23 ' HD2' ' A' ' 44' ' ' PHE . 47.4 tp -99.29 116.28 31.1 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.378 0.609 . . . . 71.239999999999995 111.031 -179.337 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.546 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 15.4 ttm180 -103.92 126.53 51.11 Favored 'General case' 0 C--O 1.214 -0.79 0 C-N-CA 125.193 1.397 . . . . 74.340000000000003 108.331 173.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.0 mt -124.53 133.57 69.03 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.434 0 N-CA-C 108.977 -0.749 . . . . 73.140000000000001 108.977 177.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 ttm180 -102.85 128.34 49.66 Favored 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 109.225 -0.658 . . . . 74.25 109.225 175.07 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.794 HD11 ' SD ' ' A' ' 48' ' ' MET . 33.5 mt -113.35 140.06 48.35 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 107.818 -1.178 . . . . 63.340000000000003 107.818 177.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 8.9 ptpt -139.69 98.24 3.44 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-O 121.627 0.727 . . . . 73.430000000000007 111.93 -166.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -49.43 -63.03 4.33 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 113.716 -1.584 . . . . 55.229999999999997 114.932 -176.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 33.5 t -107.91 136.75 47.09 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 108.696 -0.853 . . . . 64.430000000000007 108.696 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 14.2 mt -139.61 157.27 46.08 Favored 'General case' 0 N--CA 1.483 1.196 0 C-N-CA 123.666 0.786 . . . . 73.239999999999995 111.509 179.324 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -101.1 110.58 22.62 Favored 'General case' 0 C--O 1.24 0.597 0 CA-C-N 114.184 -1.371 . . . . 71.329999999999998 107.53 164.218 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 10.4 m-70 -75.74 89.79 2.85 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.146 0.498 . . . . 74.540000000000006 109.776 178.077 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 60.6 t-80 -85.75 61.23 6.72 Favored 'General case' 0 CA--C 1.552 1.022 0 CA-C-O 122.178 0.99 . . . . 65.420000000000002 110.795 -176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -137.66 8.11 2.81 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.692 1.197 . . . . 72.420000000000002 108.819 166.011 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 56.0 m-70 -104.38 91.43 3.9 Favored 'General case' 0 C--N 1.351 0.638 0 C-N-CA 124.105 0.962 . . . . 64.450000000000003 108.915 179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 57.8 t-80 -79.03 118.14 20.74 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 109.206 -0.664 . . . . 64.319999999999993 109.206 178.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.0 p80 . . . . . 0 CA--C 1.553 1.083 0 C-N-CA 123.451 0.7 . . . . 75.450000000000003 109.414 179.345 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.479 1.007 0 N-CA-C 109.172 -0.677 . . . . 52.329999999999998 109.172 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -123.31 -10.98 5.33 Favored Glycine 0 C--N 1.348 1.227 0 CA-C-O 119.923 -0.376 . . . . 71.140000000000001 113.211 -177.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.2 mt -76.55 125.64 29.59 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 109.088 -0.708 . . . . 71.439999999999998 109.088 171.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 88.5 m -74.39 89.73 2.13 Favored 'General case' 0 C--O 1.238 0.494 0 N-CA-C 108.887 -0.783 . . . . 70.099999999999994 108.887 175.162 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 15.2 ptm180 -70.11 158.9 34.89 Favored 'General case' 0 C--O 1.246 0.914 0 CA-C-N 114.501 -1.227 . . . . 62.439999999999998 111.012 177.645 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 91.3 m -116.54 109.85 17.8 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 108.043 -1.095 . . . . 74.349999999999994 108.043 -178.143 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.562 ' HB ' HG12 ' A' ' 31' ' ' VAL . 53.2 mt -101.06 113.73 38.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.745 0 C-N-CA 123.509 0.724 . . . . 64.540000000000006 109.421 -172.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 36.0 p -102.98 108.91 20.26 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -177.645 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.2 m -133.72 140.47 47.03 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 122.759 0.424 . . . . 71.420000000000002 110.348 -176.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 80.4 mt-30 -75.66 -12.79 60.27 Favored 'General case' 0 CA--C 1.543 0.707 0 C-N-CA 123.666 0.786 . . . . 61.420000000000002 110.642 172.554 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 47.1 t-20 -110.16 115.95 30.64 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 108.151 -1.055 . . . . 63.509999999999998 108.151 179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.483 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -74.33 -21.85 59.51 Favored 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.468 0.544 . . . . 72.329999999999998 112.468 179.214 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -62.87 -50.0 72.64 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.111 0.564 . . . . 51.130000000000003 111.534 179.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.9 pt-20 -61.34 -33.27 73.35 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 123.387 0.429 . . . . 70.239999999999995 110.257 178.63 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.17 -32.43 74.11 Favored 'General case' 0 C--N 1.351 0.666 0 C-N-CA 123.352 0.661 . . . . 74.400000000000006 110.863 178.229 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.483 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 87.7 mt -72.86 -43.17 62.9 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.453 0.701 . . . . 61.420000000000002 111.234 179.688 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 -64.21 -52.26 59.67 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.895 -1.048 . . . . 65.349999999999994 110.657 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 43.6 mt -67.11 -30.69 50.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 122.911 0.484 . . . . 74.219999999999999 110.384 -178.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -59.09 -57.69 11.93 Favored 'General case' 0 N--CA 1.472 0.671 0 C-N-CA 122.814 0.446 . . . . 72.340000000000003 110.747 172.347 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 51' ' ' LEU . 62.5 tp -54.62 -41.18 69.68 Favored 'General case' 0 N--CA 1.473 0.706 0 O-C-N 124.51 1.131 . . . . 74.219999999999999 111.688 -175.054 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -68.35 -34.92 76.94 Favored 'General case' 0 C--N 1.356 0.866 0 O-C-N 123.475 0.485 . . . . 61.149999999999999 111.091 -178.669 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -71.4 -42.89 67.76 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 122.488 0.315 . . . . 74.25 110.243 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.4 mm -69.34 -32.34 53.05 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.083 0 N-CA-C 109.37 -0.604 . . . . 65.310000000000002 109.37 -178.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -64.29 -32.01 73.44 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 124.109 0.964 . . . . 71.519999999999996 111.369 174.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -86.1 2.93 44.8 Favored 'General case' 0 CA--C 1.552 1.054 0 C-N-CA 123.572 0.749 . . . . 61.240000000000002 110.961 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.35 26.97 74.09 Favored Glycine 0 C--N 1.353 1.496 0 C-N-CA 123.3 0.476 . . . . 52.149999999999999 112.998 -179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 78.2 mt -103.19 164.18 11.78 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 124.629 1.172 . . . . 64.319999999999993 110.592 -176.225 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -101.12 141.57 33.81 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 107.828 -1.175 . . . . 71.549999999999997 107.828 173.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.485 HD23 ' HA ' ' A' ' 19' ' ' ALA . 51.1 tp -137.15 144.8 43.16 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 108.905 -0.776 . . . . 62.439999999999998 108.905 -179.019 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -120.74 134.17 55.3 Favored 'General case' 0 N--CA 1.462 0.166 0 N-CA-C 108.713 -0.847 . . . . 73.129999999999995 108.713 172.49 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.562 HG12 ' HB ' ' A' ' 7' ' ' ILE . 15.7 m -130.33 135.97 59.56 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.516 0 C-N-CA 124.003 0.921 . . . . 65.430000000000007 108.56 177.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 8' ' ' THR . 44.5 tt0 -121.15 114.82 21.98 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 107.691 -1.226 . . . . 71.219999999999999 107.691 177.794 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.3 t80 -78.25 115.62 18.1 Favored 'General case' 0 C--O 1.242 0.662 0 C-N-CA 122.974 0.509 . . . . 71.209999999999994 109.745 -175.231 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -84.94 79.44 9.63 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 115.699 -0.682 . . . . 64.129999999999995 109.419 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 42.0 t -165.75 144.65 6.14 Favored 'General case' 0 C--O 1.241 0.608 0 CA-C-N 115.125 -0.943 . . . . 74.150000000000006 109.916 175.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.49 ' HA ' HD11 ' A' ' 41' ' ' ILE . 70.1 p -119.36 21.6 12.12 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 123.567 0.747 . . . . 64.340000000000003 110.056 171.605 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -84.81 114.84 22.37 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 108.076 -1.083 . . . . 74.140000000000001 108.076 172.056 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 37.8 m-20 -47.68 -46.24 29.04 Favored 'General case' 0 N--CA 1.48 1.059 0 O-C-N 124.535 1.147 . . . . 53.340000000000003 113.045 -176.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 33.4 mtmm -63.0 -44.68 95.35 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.289 0.636 . . . . 72.329999999999998 110.58 -175.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 65.2 mm-40 -62.31 -44.57 96.2 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 114.578 -1.192 . . . . 61.420000000000002 111.061 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.49 HD11 ' HA ' ' A' ' 36' ' ' THR . 79.5 mt -66.54 -39.76 84.7 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 C-N-CA 123.832 0.853 . . . . 73.0 110.694 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -56.71 -46.91 80.96 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 123.847 0.859 . . . . 75.030000000000001 110.109 175.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -63.47 -45.23 91.75 Favored 'General case' 0 C--N 1.351 0.644 0 O-C-N 124.043 0.84 . . . . 74.540000000000006 111.133 177.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.1 t80 -59.24 -42.99 92.35 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 123.061 0.545 . . . . 75.200000000000003 110.494 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -61.49 -62.37 1.87 Allowed 'General case' 0 C--N 1.344 0.364 0 C-N-CA 123.862 0.865 . . . . 71.150000000000006 111.361 177.365 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.6 ptm180 -60.61 -34.65 74.55 Favored 'General case' 0 N--CA 1.476 0.86 0 O-C-N 123.807 0.692 . . . . 75.310000000000002 111.475 -171.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 69.6 m-20 -67.74 -45.39 75.12 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.121 0.968 . . . . 64.340000000000003 112.927 175.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 72' ' ' LEU . 20.4 mmt -66.89 -33.46 75.64 Favored 'General case' 0 N--CA 1.492 1.648 0 C-N-CA 122.596 0.359 . . . . 63.049999999999997 111.088 177.345 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.42 ' HG2' HD13 ' A' ' 59' ' ' ILE . 43.4 mt-10 -67.03 -50.03 63.3 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 123.909 0.884 . . . . 73.319999999999993 109.921 173.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -54.33 -50.68 66.84 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 124.059 0.944 . . . . 74.019999999999996 109.771 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.547 HD11 HD13 ' A' ' 20' ' ' LEU . 33.7 tp -61.17 -45.18 95.68 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-N 114.381 -1.281 . . . . 73.329999999999998 110.715 179.569 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -59.77 -42.88 94.3 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.364 0.666 . . . . 72.140000000000001 112.528 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -60.45 -51.07 71.04 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 123.137 0.575 . . . . 70.040000000000006 109.506 175.515 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -68.21 -20.08 64.8 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 124.097 0.959 . . . . 74.140000000000001 112.845 -175.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 63.2 p -102.16 -10.73 19.37 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.057 0.543 . . . . 65.219999999999999 111.283 176.72 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.21 26.03 73.14 Favored Glycine 0 C--N 1.353 1.495 0 O-C-N 122.898 0.124 . . . . 61.229999999999997 112.887 179.498 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.42 ' HB ' ' O ' ' A' ' 73' ' ' LYS . 6.0 m -110.56 173.22 2.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 C-N-CA 123.487 0.715 . . . . 71.140000000000001 109.85 177.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.444 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 46.5 mt-30 -105.92 160.49 15.23 Favored 'General case' 0 N--CA 1.473 0.712 0 C-N-CA 123.463 0.705 . . . . 74.219999999999999 110.107 177.532 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.42 HD13 ' HG2' ' A' ' 49' ' ' GLU . 30.0 pt -109.63 167.25 4.49 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.059 0 C-N-CA 123.573 0.749 . . . . 75.239999999999995 109.634 175.411 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.434 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 63.0 tp60 -143.94 100.8 3.63 Favored 'General case' 0 C--O 1.233 0.197 0 N-CA-C 108.515 -0.92 . . . . 73.120000000000005 108.515 166.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 94.5 mttt -78.86 123.34 27.13 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 108.182 -1.044 . . . . 71.140000000000001 108.182 172.402 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 34.6 tt0 -139.69 108.2 5.87 Favored 'General case' 0 N--CA 1.469 0.506 0 C-N-CA 123.802 0.841 . . . . 72.540000000000006 109.038 -176.483 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 81.7 m95 -79.15 119.1 21.77 Favored 'General case' 0 N--CA 1.469 0.517 0 N-CA-C 109.331 -0.618 . . . . 70.510000000000005 109.331 174.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.8 tt0 -115.59 106.57 14.08 Favored 'General case' 0 C--O 1.244 0.793 0 N-CA-C 107.161 -1.422 . . . . 73.319999999999993 107.161 178.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.28 -80.47 0.62 Allowed Glycine 0 C--N 1.346 1.111 0 N-CA-C 111.387 -0.685 . . . . 73.150000000000006 111.387 -175.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 10.0 t-20 -157.98 27.6 0.26 Allowed 'General case' 0 CA--C 1.552 1.037 0 C-N-CA 123.317 0.647 . . . . 65.230000000000004 109.608 176.522 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.54 ' HA ' ' HE3' ' A' ' 67' ' ' LYS . 0.0 OUTLIER -114.53 140.5 48.71 Favored 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.795 0.838 . . . . 74.200000000000003 109.373 172.869 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 50.8 tp -92.19 106.94 18.84 Favored 'General case' 0 C--O 1.239 0.526 0 CA-C-O 121.475 0.655 . . . . 65.439999999999998 109.375 173.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 14.9 ttm180 -98.31 108.8 21.59 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 124.522 1.129 . . . . 62.509999999999998 109.025 176.36 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.434 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 48.8 mt -106.6 118.19 53.83 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 N-CA-C 108.22 -1.03 . . . . 71.310000000000002 108.22 175.753 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -96.04 130.4 43.06 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.811 -0.811 . . . . 73.329999999999998 108.811 172.534 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 48' ' ' MET . 70.9 mt -102.69 121.13 41.81 Favored 'General case' 0 N--CA 1.457 -0.095 0 N-CA-C 107.257 -1.386 . . . . 73.420000000000002 107.257 174.358 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.569 ' HG3' HD21 ' A' ' 76' ' ' LEU . 13.7 ptpt -107.46 109.1 20.71 Favored 'General case' 0 C--N 1.321 -0.655 0 N-CA-C 107.886 -1.154 . . . . 74.310000000000002 107.886 -173.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -102.4 16.01 55.56 Favored Glycine 0 N--CA 1.466 0.687 0 CA-C-O 119.407 -0.663 . . . . 71.349999999999994 114.399 -163.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.1 p -161.03 88.01 0.74 Allowed 'General case' 0 CA--C 1.553 1.091 0 CA-C-N 117.459 0.63 . . . . 55.119999999999997 111.397 178.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.569 HD21 ' HG3' ' A' ' 73' ' ' LYS . 2.1 mm? -122.04 -168.42 1.71 Allowed 'General case' 0 N--CA 1.488 1.45 0 C-N-CA 124.167 0.987 . . . . 74.409999999999997 108.758 174.452 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 mm-40 -82.32 50.58 1.64 Allowed 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 123.516 0.726 . . . . 52.109999999999999 109.631 165.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 9.8 p80 -66.35 134.21 52.11 Favored 'General case' 0 C--N 1.359 0.991 0 N-CA-C 108.267 -1.012 . . . . 74.109999999999999 108.267 177.294 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 44.9 p-80 -59.19 107.9 0.62 Allowed 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.684 0.615 . . . . 71.420000000000002 111.232 -168.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 23.9 p-80 -62.74 139.18 58.67 Favored 'General case' 0 C--N 1.352 0.699 0 CA-C-N 115.702 -0.681 . . . . 71.099999999999994 109.313 177.132 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 11.2 p80 -56.56 114.89 2.22 Favored 'General case' 0 CA--C 1.549 0.942 0 O-C-N 124.206 0.942 . . . . 65.439999999999998 112.049 -173.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 89.0 m-70 -93.92 35.32 1.16 Allowed 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.461 1.104 . . . . 64.450000000000003 109.627 173.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 83.3 t60 . . . . . 0 C--O 1.254 1.322 0 C-N-CA 125.552 1.541 . . . . 70.420000000000002 107.327 -176.551 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.0 mtt . . . . . 0 N--CA 1.485 1.302 0 N-CA-C 109.888 -0.412 . . . . 75.340000000000003 109.888 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 96.13 99.07 1.84 Allowed Glycine 0 C--N 1.344 0.999 0 N-CA-C 110.054 -1.219 . . . . 72.230000000000004 110.054 -170.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.2 pp -114.86 -168.23 1.35 Allowed 'General case' 0 N--CA 1.478 0.95 0 CA-C-N 117.169 0.484 . . . . 73.219999999999999 111.542 -169.771 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -81.47 90.71 6.23 Favored 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 124.011 0.925 . . . . 73.329999999999998 111.145 -176.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 ptm180 -71.29 161.66 30.71 Favored 'General case' 0 N--CA 1.484 1.245 0 CA-C-O 120.851 0.358 . . . . 72.099999999999994 110.25 166.051 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.405 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 28.1 m -122.74 105.25 9.89 Favored 'General case' 0 CA--C 1.534 0.354 0 N-CA-C 108.918 -0.771 . . . . 71.299999999999997 108.918 -177.005 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.51 ' HB ' HG12 ' A' ' 31' ' ' VAL . 68.2 mt -92.33 126.44 44.85 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.521 0 C-N-CA 124.159 0.983 . . . . 64.349999999999994 109.717 -177.091 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . . . . . . . . . 76.1 p -109.3 112.2 24.2 Favored 'General case' 0 N--CA 1.474 0.755 0 N-CA-C 109.028 -0.73 . . . . 64.239999999999995 109.028 174.542 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.449 ' HB3' HD21 ' A' ' 15' ' ' LEU . 48.0 t -135.18 160.95 36.74 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 124.16 0.984 . . . . 65.310000000000002 110.165 178.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 45.5 mt-30 -109.39 10.06 25.5 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 124.585 1.154 . . . . 63.549999999999997 110.607 177.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 32.1 t30 -119.88 116.13 25.21 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.164 0.986 . . . . 50.409999999999997 108.674 170.593 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.466 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.1 OUTLIER -69.55 -28.17 65.77 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.488 0.715 . . . . 74.219999999999999 111.579 -178.898 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 43.0 mt-10 -60.38 -57.67 11.78 Favored 'General case' 0 C--N 1.36 1.024 0 C-N-CA 123.322 0.649 . . . . 64.540000000000006 111.362 -176.117 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -61.83 -31.04 71.26 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.049 -0.523 . . . . 72.239999999999995 111.363 -178.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.449 HD21 ' HB3' ' A' ' 9' ' ' SER . 92.8 mt -63.71 -35.15 79.61 Favored 'General case' 0 CA--C 1.546 0.804 0 C-N-CA 122.953 0.501 . . . . 74.439999999999998 110.819 175.271 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.466 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 54.1 mt -70.27 -45.12 67.03 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.558 0.743 . . . . 73.5 110.947 179.117 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -68.63 -42.75 77.61 Favored 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 114.951 -1.022 . . . . 73.409999999999997 111.664 -175.12 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.403 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 63.9 mt -73.76 -30.71 29.44 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.902 0 CA-C-N 116.136 -0.484 . . . . 71.140000000000001 110.091 177.291 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.637 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -61.27 -51.46 68.84 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 122.278 -0.264 . . . . 71.549999999999997 110.299 171.253 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 HD11 ' A' ' 51' ' ' LEU . 53.5 tp -56.29 -40.32 74.12 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.949 1.3 . . . . 60.43 111.996 -175.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 22.0 ptmt -71.63 -30.23 65.54 Favored 'General case' 0 CA--C 1.545 0.776 0 O-C-N 123.328 0.392 . . . . 71.349999999999994 111.421 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.2 m-85 -72.58 -41.38 65.74 Favored 'General case' 0 N--CA 1.48 1.043 0 N-CA-C 109.997 -0.372 . . . . 74.349999999999994 109.997 175.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.499 HG23 ' HA2' ' A' ' 74' ' ' GLY . 29.8 mm -67.94 -34.17 65.57 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.154 0 N-CA-C 109.554 -0.535 . . . . 74.040000000000006 109.554 -179.573 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -61.95 -29.76 70.45 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.456 1.102 . . . . 72.230000000000004 111.977 174.561 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.5 mt-30 -84.45 -17.38 39.33 Favored 'General case' 0 N--CA 1.479 1.012 0 C-N-CA 123.561 0.744 . . . . 74.420000000000002 110.774 175.199 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.85 28.95 33.22 Favored Glycine 0 C--N 1.351 1.38 0 N-CA-C 111.918 -0.473 . . . . 74.430000000000007 111.918 -175.063 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 88.6 mt -105.76 148.6 27.3 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 124.69 1.196 . . . . 74.319999999999993 109.743 178.543 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -79.08 150.24 31.88 Favored 'General case' 0 C--O 1.243 0.728 0 N-CA-C 108.776 -0.824 . . . . 60.32 108.776 167.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.523 HD23 ' HA ' ' A' ' 19' ' ' ALA . 60.4 tp -143.67 131.02 20.91 Favored 'General case' 0 C--N 1.331 -0.235 0 N-CA-C 108.241 -1.022 . . . . 70.109999999999999 108.241 176.159 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.405 ' O ' ' HA ' ' A' ' 6' ' ' THR . 36.4 tt0 -104.25 130.39 52.04 Favored 'General case' 0 CA--C 1.533 0.312 0 N-CA-C 108.209 -1.034 . . . . 74.340000000000003 108.209 173.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.51 HG12 ' HB ' ' A' ' 7' ' ' ILE . 6.1 m -131.85 154.21 39.9 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.197 0.999 . . . . 73.420000000000002 109.157 -179.639 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 35.7 tt0 -137.08 123.11 20.28 Favored 'General case' 0 N--CA 1.464 0.266 0 C-N-CA 123.822 0.849 . . . . 73.120000000000005 109.049 -175.316 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -94.64 101.05 12.89 Favored 'General case' 0 C--O 1.244 0.78 0 N-CA-C 107.777 -1.194 . . . . 73.510000000000005 107.777 174.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -81.66 90.0 6.28 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.207 0.603 . . . . 62.399999999999999 109.457 -176.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.2 t -157.27 153.52 27.62 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 123.968 0.907 . . . . 75.109999999999999 109.453 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 41.1 p -113.71 2.5 15.23 Favored 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 123.962 0.905 . . . . 72.049999999999997 111.076 175.321 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -87.0 113.38 22.7 Favored 'General case' 0 C--N 1.354 0.791 0 N-CA-C 108.624 -0.88 . . . . 73.030000000000001 108.624 -178.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 34.3 m-20 -48.75 -43.44 37.68 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 124.703 1.252 . . . . 72.140000000000001 113.04 -175.131 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.44 -46.43 86.32 Favored 'General case' 0 N--CA 1.474 0.752 0 O-C-N 123.716 0.635 . . . . 73.239999999999995 111.202 -176.079 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -68.65 -39.57 80.64 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 123.42 0.688 . . . . 72.400000000000006 111.528 -178.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 72.5 mt -59.83 -42.38 88.85 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 CA-C-N 115.116 -0.947 . . . . 74.140000000000001 110.139 174.713 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -69.67 -30.55 68.26 Favored 'General case' 0 N--CA 1.482 1.127 0 C-N-CA 123.822 0.849 . . . . 74.519999999999996 111.581 -179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -61.59 -46.52 89.52 Favored 'General case' 0 N--CA 1.474 0.753 0 O-C-N 123.487 0.492 . . . . 51.539999999999999 110.417 169.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 77.3 t80 -67.38 -35.47 79.39 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 122.949 0.5 . . . . 75.439999999999998 110.477 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -57.77 -63.81 1.12 Allowed 'General case' 0 C--N 1.349 0.564 0 C-N-CA 123.426 0.69 . . . . 74.540000000000006 111.434 174.499 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 5.8 ptm180 -65.15 -37.1 86.33 Favored 'General case' 0 CA--C 1.544 0.719 0 O-C-N 124.009 0.818 . . . . 71.329999999999998 111.92 -171.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.94 -41.6 82.3 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.642 0.777 . . . . 54.149999999999999 112.616 176.842 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.484 ' SD ' HD11 ' A' ' 72' ' ' LEU . 13.3 mmt -69.37 -37.56 77.65 Favored 'General case' 0 N--CA 1.495 1.823 0 CA-C-N 118.19 0.45 . . . . 75.030000000000001 111.523 177.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.502 ' O ' ' HG3' ' A' ' 53' ' ' LYS . 51.4 mt-10 -59.98 -51.35 70.05 Favored 'General case' 0 N--CA 1.469 0.504 0 O-C-N 124.26 0.975 . . . . 74.510000000000005 109.216 171.358 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' O ' ' HG3' ' A' ' 54' ' ' LYS . 26.9 t70 -56.4 -49.66 73.87 Favored 'General case' 0 N--CA 1.471 0.606 0 O-C-N 124.51 1.131 . . . . 72.140000000000001 110.215 -177.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.448 HD11 HD13 ' A' ' 20' ' ' LEU . 47.0 tp -61.24 -44.85 96.58 Favored 'General case' 0 CA--C 1.541 0.633 0 O-C-N 124.666 1.229 . . . . 44.219999999999999 111.684 -179.484 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -62.84 -38.03 89.17 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 123.132 0.573 . . . . 61.420000000000002 111.804 -179.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.502 ' HG3' ' O ' ' A' ' 49' ' ' GLU . 44.6 mttm -64.35 -48.63 74.8 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.17 0.588 . . . . 73.299999999999997 109.779 175.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' A' ' 50' ' ' ASP . 27.9 mtpp -55.76 -34.41 65.21 Favored 'General case' 0 N--CA 1.489 1.487 0 C-N-CA 124.405 1.082 . . . . 73.109999999999999 111.928 178.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 61.2 p -98.15 -10.6 23.91 Favored 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 123.345 0.658 . . . . 73.209999999999994 112.19 -175.502 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 72.94 27.42 68.82 Favored Glycine 0 C--N 1.354 1.569 0 N-CA-C 113.703 0.241 . . . . 64.319999999999993 113.703 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.514 ' HA ' HD12 ' A' ' 76' ' ' LEU . 16.0 m -116.2 169.34 6.84 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 C-N-CA 123.491 0.717 . . . . 75.209999999999994 109.954 175.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.508 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 96.8 mt-30 -97.6 170.09 9.26 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-O 121.013 0.435 . . . . 72.340000000000003 110.27 176.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.501 HD12 ' HZ3' ' A' ' 61' ' ' LYS . 18.2 pt -110.19 168.67 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 123.761 0.825 . . . . 73.120000000000005 109.261 173.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.44 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 0.3 OUTLIER -140.7 101.28 4.04 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 106.945 -1.502 . . . . 73.310000000000002 106.945 170.535 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' HZ3' HD12 ' A' ' 59' ' ' ILE . 62.0 mttm -81.44 113.2 19.35 Favored 'General case' 0 N--CA 1.469 0.524 0 N-CA-C 108.349 -0.982 . . . . 74.340000000000003 108.349 178.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 56.2 tp60 -110.41 104.95 13.78 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 108.817 -0.809 . . . . 72.140000000000001 108.817 174.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 86.2 m95 -90.6 127.69 36.35 Favored 'General case' 0 C--O 1.241 0.633 0 N-CA-C 108.346 -0.983 . . . . 71.340000000000003 108.346 177.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 39.5 tp60 -140.37 82.8 1.87 Allowed 'General case' 0 N--CA 1.472 0.659 0 N-CA-C 109.366 -0.605 . . . . 70.329999999999998 109.366 -179.344 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.16 50.48 27.82 Favored Glycine 0 C--N 1.348 1.198 0 CA-C-N 115.998 -0.546 . . . . 70.010000000000005 112.496 -178.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 65.63 15.04 9.86 Favored 'General case' 0 N--CA 1.487 1.379 0 C-N-CA 125.671 1.589 . . . . 70.310000000000002 112.3 -177.481 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 72.8 mmtt -106.31 112.06 24.91 Favored 'General case' 0 N--CA 1.474 0.731 0 N-CA-C 108.079 -1.082 . . . . 74.120000000000005 108.079 178.531 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 52.6 tp -96.9 107.47 19.98 Favored 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 122.968 0.507 . . . . 64.109999999999999 111.043 -169.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.516 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 39.4 ttp-105 -107.47 110.25 22.15 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.205 1.002 . . . . 73.510000000000005 109.135 176.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 50.3 mt -105.59 124.68 60.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 123.097 0.559 . . . . 74.129999999999995 109.545 -177.644 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 59.7 ttt180 -99.18 132.4 44.52 Favored 'General case' 0 CA--C 1.537 0.448 0 N-CA-C 109.076 -0.713 . . . . 71.409999999999997 109.076 173.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.637 HD12 ' HB1' ' A' ' 19' ' ' ALA . 40.6 mt -108.09 133.35 52.5 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 107.77 -1.196 . . . . 73.019999999999996 107.77 175.623 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.508 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 15.5 ptpt -103.32 81.84 1.99 Allowed 'General case' 0 N--CA 1.472 0.625 0 CA-C-O 121.884 0.85 . . . . 72.439999999999998 111.564 -174.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.499 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -53.77 -43.97 69.96 Favored Glycine 0 N--CA 1.473 1.101 0 CA-C-N 113.931 -1.486 . . . . 65.200000000000003 113.158 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 62.6 p -97.22 76.59 2.63 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 108.315 -0.995 . . . . 73.439999999999998 108.315 168.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 57' ' ' VAL . 4.9 tt -67.99 -58.88 3.8 Favored 'General case' 0 N--CA 1.475 0.796 0 N-CA-C 108.181 -1.044 . . . . 61.039999999999999 108.181 177.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -94.78 103.34 15.24 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 115.366 -0.834 . . . . 74.109999999999999 110.245 -176.384 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 23.5 t-160 -92.06 55.97 2.75 Favored 'General case' 0 CA--C 1.554 1.099 0 N-CA-C 107.701 -1.222 . . . . 61.130000000000003 107.701 166.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 22.1 t60 28.52 -85.4 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.84 0 C-N-CA 127.385 2.274 . . . . 63.409999999999997 113.661 -176.088 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 8.4 t60 -124.21 81.08 1.89 Allowed 'General case' 0 C--O 1.241 0.63 0 N-CA-C 108.46 -0.941 . . . . 65.400000000000006 108.46 176.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 24.9 p80 -83.97 175.28 9.67 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 115.279 -0.873 . . . . 63.350000000000001 109.617 173.07 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -72.44 111.85 7.99 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 115.891 -0.595 . . . . 62.399999999999999 109.442 179.602 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 56.8 t-80 . . . . . 0 C--O 1.247 0.949 0 N-CA-C 108.734 -0.839 . . . . 72.439999999999998 108.734 -176.687 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.9 mtm . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.38 -0.6 . . . . 62.43 109.38 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.28 -133.69 3.1 Favored Glycine 0 C--N 1.338 0.655 0 N-CA-C 110.473 -1.051 . . . . 74.129999999999995 110.473 -177.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -164.99 129.72 2.53 Favored 'General case' 0 C--O 1.241 0.625 0 C-N-CA 123.122 0.569 . . . . 73.239999999999995 109.781 174.126 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 24.0 m -89.6 63.31 6.21 Favored 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 108.335 -0.987 . . . . 74.219999999999999 108.335 174.037 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.3 ptp180 -64.91 165.22 11.13 Favored 'General case' 0 N--CA 1.482 1.138 0 CA-C-N 115.42 -0.809 . . . . 65.120000000000005 111.572 -177.441 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 50.9 m -109.62 110.58 21.68 Favored 'General case' 0 C--O 1.241 0.643 0 N-CA-C 108.445 -0.946 . . . . 43.340000000000003 108.445 179.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.523 ' HB ' HG12 ' A' ' 31' ' ' VAL . 41.5 mt -96.42 105.34 16.95 Favored 'Isoleucine or valine' 0 C--O 1.24 0.558 0 N-CA-C 107.629 -1.248 . . . . 74.349999999999994 107.629 -178.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.451 HG22 ' HB3' ' A' ' 32' ' ' GLU . 35.4 p -101.68 108.63 20.22 Favored 'General case' 0 C--O 1.241 0.649 0 C-N-CA 123.781 0.832 . . . . 74.040000000000006 109.155 -176.116 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.9 t -135.32 150.58 50.02 Favored 'General case' 0 N--CA 1.468 0.451 0 C-N-CA 123.112 0.565 . . . . 74.109999999999999 110.042 -178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -91.82 -8.01 47.85 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 124.273 1.029 . . . . 74.129999999999995 110.077 174.332 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . 0.508 HD21 ' HB2' ' A' ' 13' ' ' GLU . 7.6 t30 -109.17 109.62 20.64 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.958 1.303 . . . . 44.210000000000001 108.029 176.713 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.516 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 2.6 pptp? -72.07 -24.17 61.47 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.533 0.568 . . . . 65.209999999999994 112.533 -175.666 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.508 ' HB2' HD21 ' A' ' 11' ' ' ASN . 2.2 mp0 -59.78 -51.32 70.25 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.397 0.436 . . . . 63.109999999999999 111.076 -173.01 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.425 ' HG2' HD22 ' A' ' 11' ' ' ASN . 12.8 pt-20 -61.0 -31.63 71.23 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 115.517 -0.765 . . . . 73.409999999999997 110.776 178.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 96.4 mt -66.62 -34.61 78.27 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.895 0.478 . . . . 72.319999999999993 110.52 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.516 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 15.0 mt -72.45 -44.53 62.22 Favored 'General case' 0 N--CA 1.487 1.423 0 CA-C-O 121.906 0.86 . . . . 74.120000000000005 108.885 -178.792 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -62.08 -53.13 59.83 Favored 'General case' 0 CA--C 1.547 0.859 0 CA-C-N 113.493 -1.685 . . . . 74.329999999999998 111.31 -177.146 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 68.9 mt -70.13 -29.32 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.175 0 C-N-CA 124.095 0.958 . . . . 62.030000000000001 110.151 -178.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -56.17 -55.8 28.74 Favored 'General case' 0 N--CA 1.473 0.699 0 C-N-CA 122.682 0.393 . . . . 74.25 111.0 173.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 60.6 tp -49.57 -44.3 46.76 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 124.927 1.392 . . . . 33.119999999999997 112.115 -177.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.3 ptmt -71.02 -28.47 64.43 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.523 0.515 . . . . 64.439999999999998 112.167 -175.137 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 21.4 m-85 -74.72 -44.74 48.35 Favored 'General case' 0 N--CA 1.491 1.619 0 C-N-CA 122.96 0.504 . . . . 73.120000000000005 110.777 175.462 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 35.6 mm -69.92 -33.95 57.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.924 0 N-CA-C 109.548 -0.538 . . . . 62.420000000000002 109.548 -176.356 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.4 t -57.87 -40.93 81.38 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.204 1.002 . . . . 71.530000000000001 111.394 173.254 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.1 mt-30 -73.18 -22.01 60.56 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 123.425 0.69 . . . . 73.230000000000004 111.491 176.042 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.4 18.31 55.47 Favored Glycine 0 C--N 1.349 1.284 0 N-CA-C 112.366 -0.294 . . . . 62.119999999999997 112.366 -175.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 82.2 mt -94.02 141.25 28.74 Favored 'General case' 0 N--CA 1.475 0.814 0 C-N-CA 123.915 0.886 . . . . 74.030000000000001 110.139 -179.661 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -74.03 147.62 42.74 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-O 121.4 0.619 . . . . 72.430000000000007 109.644 168.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 61.0 tp -144.07 158.48 43.69 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.787 -1.19 . . . . 62.530000000000001 107.787 -178.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -129.71 125.04 35.01 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 108.309 -0.996 . . . . 70.310000000000002 108.309 169.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.523 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -117.67 115.97 50.27 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 C-N-CA 123.961 0.904 . . . . 74.319999999999993 108.9 174.626 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.578 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.3 tt0 -104.47 109.26 21.07 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 107.649 -1.241 . . . . 73.25 107.649 178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 12.6 t80 -87.29 113.86 23.39 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.709 -0.678 . . . . 72.420000000000002 109.581 -174.474 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -82.28 97.46 8.3 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 115.056 -0.975 . . . . 73.420000000000002 108.525 174.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 26.2 t -159.43 152.71 22.32 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 121.708 0.766 . . . . 73.150000000000006 111.103 171.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 68.5 p -120.98 3.61 10.49 Favored 'General case' 0 CA--C 1.55 0.973 0 CA-C-N 113.615 -1.63 . . . . 73.409999999999997 109.954 173.188 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -86.38 115.99 24.26 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.167 -1.049 . . . . 52.130000000000003 108.167 -177.276 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -42.64 -54.15 4.13 Favored 'General case' 0 N--CA 1.484 1.233 0 O-C-N 124.954 1.409 . . . . 72.239999999999995 112.974 179.414 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.439 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 36.8 mtpt -56.74 -51.48 68.69 Favored 'General case' 0 C--N 1.358 0.94 0 O-C-N 123.685 0.616 . . . . 61.310000000000002 111.249 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -64.69 -40.13 94.85 Favored 'General case' 0 N--CA 1.471 0.624 0 O-C-N 123.409 0.443 . . . . 65.540000000000006 111.122 -170.357 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.562 HG23 HD22 ' A' ' 68' ' ' LEU . 83.3 mt -57.95 -51.87 65.2 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.962 0 O-C-N 124.422 1.076 . . . . 71.239999999999995 109.91 174.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.0 mt-10 -63.16 -42.08 99.37 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.177 0.991 . . . . 74.099999999999994 111.837 -176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.439 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 27.7 mm-40 -67.1 -36.55 82.19 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 123.92 0.762 . . . . 74.209999999999994 110.757 -179.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.426 ' HD2' HD23 ' A' ' 68' ' ' LEU . 80.4 t80 -67.95 -42.81 80.39 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-N 115.4 -0.818 . . . . 73.5 109.809 177.198 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.471 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 51.6 mt-10 -61.1 -58.17 9.47 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.651 0.78 . . . . 72.129999999999995 111.353 179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.8 ptm180 -61.87 -37.27 83.91 Favored 'General case' 0 N--CA 1.47 0.549 0 O-C-N 124.111 0.882 . . . . 74.430000000000007 111.047 -173.382 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -68.66 -41.63 79.02 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 123.633 0.583 . . . . 63.32 111.69 177.275 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.467 ' HE2' HD23 ' A' ' 16' ' ' LEU . 21.1 mmt -67.73 -37.05 81.66 Favored 'General case' 0 N--CA 1.487 1.404 0 C-N-CA 122.504 0.321 . . . . 72.230000000000004 111.34 177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -65.45 -39.77 92.45 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 123.971 0.908 . . . . 62.450000000000003 110.75 175.229 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.609 ' HA ' ' HD3' ' A' ' 53' ' ' LYS . 24.9 t70 -71.5 -35.74 70.86 Favored 'General case' 0 C--N 1.349 0.554 0 CA-C-N 115.499 -0.773 . . . . 53.049999999999997 110.373 179.42 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 65.8 tp -61.43 -44.97 96.2 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.947 0.899 . . . . 32.119999999999997 109.884 174.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.45 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -61.3 -37.79 84.46 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 124.013 0.821 . . . . 52.350000000000001 111.744 177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.609 ' HD3' ' HA ' ' A' ' 50' ' ' ASP . 45.3 mtpt -60.9 -59.08 5.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.431 0.693 . . . . 55.509999999999998 110.981 171.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 62.5 mtpt -56.52 -38.5 71.9 Favored 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 124.772 1.229 . . . . 73.430000000000007 112.752 -174.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 81.6 p -95.39 -10.27 30.48 Favored 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 123.158 0.583 . . . . 74.299999999999997 111.866 -176.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 75.84 22.11 75.22 Favored Glycine 0 C--N 1.352 1.447 0 O-C-N 123.051 0.22 . . . . 54.520000000000003 113.519 179.007 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.425 HG22 ' HA ' ' A' ' 52' ' ' ALA . 12.4 m -106.26 -176.08 0.53 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 0 C-N-CA 123.808 0.843 . . . . 53.5 110.539 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.622 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mt-30 -115.62 172.83 6.87 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.516 0.726 . . . . 61.32 110.141 172.731 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.45 HG23 ' HB2' ' A' ' 52' ' ' ALA . 32.4 pt -125.51 169.1 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 N-CA-C 109.823 -0.436 . . . . 63.549999999999997 109.823 170.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.468 ' O ' ' HA ' ' A' ' 70' ' ' ILE . 5.2 tp-100 -133.02 100.64 4.95 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 108.405 -0.961 . . . . 74.040000000000006 108.405 178.431 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -84.16 120.24 25.95 Favored 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 108.521 -0.918 . . . . 73.450000000000003 108.521 175.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . 0.43 ' O ' ' HB3' ' A' ' 69' ' ' ARG . 6.5 tp-100 -133.56 107.24 7.88 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 107.48 -1.304 . . . . 52.340000000000003 107.48 -178.363 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -76.91 109.58 10.83 Favored 'General case' 0 CA--C 1.538 0.504 0 N-CA-C 109.396 -0.594 . . . . 75.439999999999998 109.396 176.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -101.64 90.49 4.06 Favored 'General case' 0 CA--C 1.539 0.526 0 N-CA-C 105.151 -2.166 . . . . 75.530000000000001 105.151 177.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 69.76 -127.11 18.83 Favored Glycine 0 CA--C 1.531 1.038 0 N-CA-C 110.27 -1.132 . . . . 74.040000000000006 110.27 -163.575 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -103.89 26.2 8.96 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 121.508 0.671 . . . . 71.319999999999993 110.149 170.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 11.7 mmpt? -98.98 124.91 44.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 106.987 -1.486 . . . . 71.329999999999998 106.987 174.366 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.562 HD22 HG23 ' A' ' 41' ' ' ILE . 61.8 tp -85.83 88.0 7.49 Favored 'General case' 0 CA--C 1.536 0.424 0 N-CA-C 108.723 -0.844 . . . . 71.409999999999997 108.723 179.28 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.578 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 45.3 ttt180 -86.31 108.33 18.37 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 115.0 -1.0 . . . . 65.310000000000002 108.766 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.468 ' HA ' ' O ' ' A' ' 60' ' ' GLN . 30.2 mt -112.16 122.4 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.542 0 N-CA-C 109.102 -0.703 . . . . 74.329999999999998 109.102 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.5 ttt180 -95.09 125.22 39.6 Favored 'General case' 0 C--O 1.239 0.539 0 N-CA-C 108.725 -0.843 . . . . 73.129999999999995 108.725 170.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 54.1 mt -100.7 127.15 47.22 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 125.127 1.371 . . . . 74.349999999999994 107.836 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.622 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 10.9 ptpt -107.65 130.96 54.86 Favored 'General case' 0 C--N 1.323 -0.558 0 N-CA-C 108.852 -0.795 . . . . 63.219999999999999 108.852 -177.542 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -97.29 -46.02 2.45 Favored Glycine 0 C--N 1.346 1.087 0 O-C-N 123.385 0.428 . . . . 73.019999999999996 112.095 -171.342 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 25.0 t -110.86 113.99 26.99 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.179 0.591 . . . . 73.450000000000003 109.562 -177.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.622 HD21 ' HG3' ' A' ' 73' ' ' LYS . 3.0 mm? -125.72 168.01 14.37 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 124.229 1.012 . . . . 72.099999999999994 110.471 -178.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -93.38 62.77 3.45 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 107.234 -1.395 . . . . 74.510000000000005 107.234 169.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.5 t-80 -73.04 88.44 1.4 Allowed 'General case' 0 N--CA 1.479 0.977 0 N-CA-C 108.486 -0.931 . . . . 74.109999999999999 108.486 -178.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -56.27 90.87 0.01 OUTLIER 'General case' 0 N--CA 1.486 1.359 0 C-N-CA 125.139 1.376 . . . . 52.539999999999999 114.281 -162.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -175.24 147.87 0.93 Allowed 'General case' 0 N--CA 1.479 1.015 0 C-N-CA 126.088 1.755 . . . . 73.430000000000007 107.485 171.388 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -69.05 95.51 0.73 Allowed 'General case' 0 N--CA 1.48 1.033 0 N-CA-C 109.144 -0.687 . . . . 74.510000000000005 109.144 178.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 50.4 t60 -141.83 120.41 12.51 Favored 'General case' 0 N--CA 1.474 0.753 0 C-N-CA 124.327 1.051 . . . . 72.129999999999995 109.254 -170.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 . . . . . 0 C--O 1.247 0.932 0 N-CA-C 108.773 -0.825 . . . . 73.510000000000005 108.773 179.08 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 95.6 mmm . . . . . 0 N--CA 1.481 1.076 0 N-CA-C 109.701 -0.481 . . . . 73.409999999999997 109.701 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -112.07 108.85 2.33 Favored Glycine 0 C--N 1.349 1.271 0 CA-C-N 115.802 -0.635 . . . . 74.200000000000003 112.046 -176.473 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.3 pt? -152.18 149.45 28.76 Favored 'General case' 0 C--O 1.241 0.627 0 C-N-CA 123.591 0.757 . . . . 63.420000000000002 110.248 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 94.2 m -137.16 91.9 2.66 Favored 'General case' 0 C--O 1.242 0.659 0 N-CA-C 107.697 -1.223 . . . . 74.430000000000007 107.697 173.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 9.9 ptm85 -77.21 171.65 14.5 Favored 'General case' 0 N--CA 1.474 0.752 0 CA-C-N 115.038 -0.983 . . . . 75.099999999999994 110.643 -179.705 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.462 HG22 HG23 ' A' ' 8' ' ' THR . 83.1 m -121.73 120.37 34.46 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 123.449 0.7 . . . . 73.310000000000002 109.192 -179.016 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.413 ' HB ' HG12 ' A' ' 31' ' ' VAL . 36.8 mt -104.52 104.32 16.66 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.514 0 N-CA-C 107.24 -1.393 . . . . 63.200000000000003 107.24 175.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.509 HG22 ' HB3' ' A' ' 32' ' ' GLU . 39.2 p -100.23 107.16 18.93 Favored 'General case' 0 N--CA 1.472 0.654 0 N-CA-C 107.713 -1.218 . . . . 75.5 107.713 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.0 t -134.55 144.93 48.25 Favored 'General case' 0 C--O 1.235 0.297 0 CA-C-O 121.186 0.517 . . . . 60.329999999999998 110.594 -178.429 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.433 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 75.7 mt-30 -84.25 2.46 39.94 Favored 'General case' 0 CA--C 1.549 0.942 0 CA-C-N 114.6 -1.182 . . . . 74.420000000000002 110.655 176.256 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 38.9 t30 -121.95 117.17 25.78 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 124.552 1.141 . . . . 75.239999999999995 109.473 176.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.551 ' HE3' ' HB3' ' A' ' 43' ' ' GLU . 1.2 pptp? -77.92 -16.58 58.09 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.004 0.742 . . . . 65.540000000000006 113.004 -179.144 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -65.89 -54.54 25.15 Favored 'General case' 0 N--CA 1.483 1.209 0 CA-C-O 121.075 0.464 . . . . 63.340000000000003 110.114 -177.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -63.56 -31.33 72.46 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 115.189 -0.914 . . . . 70.120000000000005 111.152 178.577 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.407 ' O ' ' HB2' ' A' ' 19' ' ' ALA . 86.7 mt -61.3 -34.07 74.63 Favored 'General case' 0 CA--C 1.546 0.79 0 O-C-N 123.325 0.391 . . . . 71.150000000000006 110.127 175.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.531 HD21 ' HB3' ' A' ' 47' ' ' ASP . 65.5 mt -72.91 -43.69 62.13 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.877 0.871 . . . . 63.119999999999997 111.212 178.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -68.16 -45.21 74.13 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 115.187 -0.915 . . . . 72.010000000000005 111.699 -174.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 53.7 mt -73.2 -33.35 41.46 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.056 0 C-N-CA 123.847 0.859 . . . . 55.409999999999997 109.39 178.194 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.499 ' HB1' HD13 ' A' ' 72' ' ' LEU . . . -55.63 -56.8 16.1 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.408 0.683 . . . . 62.310000000000002 111.377 173.216 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 47.2 tp -50.2 -36.68 31.67 Favored 'General case' 0 N--CA 1.473 0.681 0 O-C-N 125.08 1.487 . . . . 72.420000000000002 111.073 -178.337 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 78.2 tttt -67.01 -45.78 76.51 Favored 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.024 1.33 . . . . 74.439999999999998 111.973 178.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -69.11 -44.51 72.27 Favored 'General case' 0 N--CA 1.485 1.31 0 C-N-CA 122.724 0.41 . . . . 71.109999999999999 110.122 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 47.2 mm -67.04 -32.98 60.34 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.893 0 C-N-CA 123.698 0.799 . . . . 51.520000000000003 109.747 -177.625 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.5 t -58.71 -30.92 67.8 Favored 'General case' 0 N--CA 1.484 1.257 0 C-N-CA 123.956 0.902 . . . . 63.009999999999998 111.977 174.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -95.64 0.21 52.48 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.031 0.933 . . . . 73.109999999999999 111.145 178.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.64 17.92 78.22 Favored Glycine 0 C--N 1.351 1.364 0 C-N-CA 123.184 0.421 . . . . 74.230000000000004 113.203 -179.305 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 96.6 mt -85.95 129.82 34.72 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.773 0.829 . . . . 72.439999999999998 110.863 -174.306 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -78.76 136.41 37.38 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 108.352 -0.981 . . . . 73.349999999999994 108.352 173.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 62.3 tp -145.17 148.62 33.77 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 124.006 0.922 . . . . 63.119999999999997 109.338 -164.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 31.0 mt-10 -114.76 121.9 44.75 Favored 'General case' 0 N--CA 1.478 0.956 0 N-CA-C 108.437 -0.949 . . . . 71.329999999999998 108.437 168.12 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.433 HG21 ' HE3' ' A' ' 48' ' ' MET . 5.0 m -116.95 117.32 55.03 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.625 0 N-CA-C 107.667 -1.235 . . . . 51.420000000000002 107.667 170.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB3' HG22 ' A' ' 8' ' ' THR . 44.0 tt0 -106.0 117.94 35.33 Favored 'General case' 0 C--O 1.237 0.421 0 N-CA-C 108.378 -0.971 . . . . 72.349999999999994 108.378 178.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 34.3 t80 -79.95 101.56 8.69 Favored 'General case' 0 C--O 1.244 0.788 0 N-CA-C 108.66 -0.866 . . . . 73.349999999999994 108.66 175.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.477 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 30.2 t70 -79.92 87.99 5.33 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 115.217 -0.901 . . . . 74.439999999999998 108.947 -178.237 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 47.1 t -154.68 156.99 37.44 Favored 'General case' 0 C--O 1.241 0.619 0 CA-C-N 115.867 -0.606 . . . . 74.209999999999994 110.681 178.786 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . 0.462 ' HA ' ' ND2' ' A' ' 66' ' ' ASN . 36.3 p -113.76 2.04 15.04 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 115.019 -0.991 . . . . 75.049999999999997 110.468 174.505 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -89.77 109.84 20.8 Favored 'General case' 0 C--N 1.358 0.938 0 N-CA-C 108.083 -1.081 . . . . 73.140000000000001 108.083 -179.023 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -48.64 -49.37 37.5 Favored 'General case' 0 N--CA 1.475 0.795 0 O-C-N 124.458 1.099 . . . . 64.409999999999997 111.994 -178.073 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 11.5 mmpt? -59.15 -43.76 92.08 Favored 'General case' 0 N--CA 1.477 0.918 0 O-C-N 123.756 0.66 . . . . 71.319999999999993 110.894 -171.673 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -68.11 -33.55 74.73 Favored 'General case' 0 CA--C 1.543 0.679 0 CA-C-N 115.262 -0.881 . . . . 72.439999999999998 111.56 178.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . . . . . . . . . 67.7 mt -71.1 -38.15 70.05 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.128 0 C-N-CA 123.126 0.57 . . . . 63.5 111.024 177.189 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.586 ' HB3' HH21 ' A' ' 46' ' ' ARG . 0.8 OUTLIER -62.48 -38.0 88.14 Favored 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 123.239 0.616 . . . . 63.109999999999999 109.91 175.154 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.551 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 54.3 mt-10 -59.75 -51.3 70.34 Favored 'General case' 0 C--O 1.216 -0.664 0 CA-C-N 115.431 -0.804 . . . . 75.540000000000006 110.06 172.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 46.0 t80 -55.23 -36.87 66.46 Favored 'General case' 0 N--CA 1.483 1.193 0 C-N-CA 123.311 0.645 . . . . 73.409999999999997 110.865 -177.399 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -62.53 -61.47 2.41 Favored 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.531 0.732 . . . . 72.140000000000001 111.151 175.37 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.586 HH21 ' HB3' ' A' ' 42' ' ' GLU . 14.7 ptp180 -65.21 -38.7 91.26 Favored 'General case' 0 N--CA 1.48 1.036 0 O-C-N 123.776 0.673 . . . . 74.519999999999996 111.634 -170.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.531 ' HB3' HD21 ' A' ' 16' ' ' LEU . 7.4 m-20 -59.73 -49.42 77.8 Favored 'General case' 0 CA--C 1.548 0.877 0 C-N-CA 124.807 1.243 . . . . 74.129999999999995 112.099 172.853 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.433 ' HE3' HG21 ' A' ' 31' ' ' VAL . 20.5 mmt -67.86 -32.49 73.04 Favored 'General case' 0 N--CA 1.494 1.746 0 N-CA-C 112.212 0.449 . . . . 74.329999999999998 112.212 179.22 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -69.18 -42.82 75.32 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.015 0.526 . . . . 60.210000000000001 110.29 176.093 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -64.89 -42.03 95.12 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.756 0.822 . . . . 72.120000000000005 109.709 178.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 61.2 tp -60.54 -44.34 96.22 Favored 'General case' 0 CA--C 1.541 0.61 0 O-C-N 124.631 1.207 . . . . 75.439999999999998 109.958 174.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.478 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -59.71 -40.84 89.33 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 124.0 0.92 . . . . 71.430000000000007 111.727 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.2 mpmm? -61.48 -55.27 33.02 Favored 'General case' 0 CA--C 1.551 1.014 0 N-CA-C 109.486 -0.561 . . . . 75.239999999999995 109.486 173.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -62.05 -24.47 67.1 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 124.269 1.028 . . . . 73.329999999999998 112.825 -175.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' OG1' HG22 ' A' ' 57' ' ' VAL . 76.7 p -101.96 -15.74 16.72 Favored 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 123.289 0.635 . . . . 71.439999999999998 111.845 -178.62 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.26 26.85 58.93 Favored Glycine 0 C--N 1.349 1.268 0 O-C-N 123.141 0.275 . . . . 34.329999999999998 113.261 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.413 HG22 ' OG1' ' A' ' 55' ' ' THR . 15.8 m -117.69 179.47 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.28 0 C-N-CA 123.546 0.738 . . . . 72.109999999999999 110.403 175.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.406 ' H ' HD21 ' A' ' 76' ' ' LEU . 16.9 mt-30 -118.84 166.98 12.15 Favored 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 108.415 -0.958 . . . . 45.32 108.415 174.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.529 HD12 HD13 ' A' ' 70' ' ' ILE . 24.7 pt -122.75 139.91 48.13 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.266 0 O-C-N 121.726 -0.609 . . . . 73.400000000000006 111.048 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . 0.407 ' HB3' ' HB3' ' A' ' 71' ' ' ARG . 51.3 tp60 -101.95 101.92 12.39 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.43 0.692 . . . . 73.420000000000002 109.587 177.176 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -79.35 118.02 20.87 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 109.216 -0.661 . . . . 70.310000000000002 109.216 177.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 53.5 tp60 -131.11 118.72 20.91 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 107.996 -1.112 . . . . 71.150000000000006 107.996 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 90.8 m95 -84.99 130.8 34.56 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 109.084 -0.71 . . . . 72.219999999999999 109.084 178.261 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 25.6 tp60 -137.91 94.2 2.86 Favored 'General case' 0 CA--C 1.542 0.639 0 N-CA-C 108.899 -0.778 . . . . 75.230000000000004 108.899 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 59.38 47.32 91.45 Favored Glycine 0 C--N 1.351 1.388 0 CA-C-N 115.714 -0.676 . . . . 60.439999999999998 112.789 -176.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . 0.462 ' ND2' ' HA ' ' A' ' 36' ' ' THR . 5.4 t30 78.05 -32.63 0.17 Allowed 'General case' 0 N--CA 1.494 1.754 0 C-N-CA 126.09 1.756 . . . . 72.510000000000005 112.08 -176.259 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.477 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 28.3 mmtp -68.32 117.5 10.19 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.747 0.819 . . . . 74.430000000000007 109.407 -179.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 55.1 tp -82.88 101.31 10.92 Favored 'General case' 0 N--CA 1.465 0.324 0 CA-C-O 121.243 0.544 . . . . 62.240000000000002 109.703 -172.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.508 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 20.8 ttm-85 -86.25 107.73 18.07 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 114.829 -1.078 . . . . 65.319999999999993 109.669 173.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.529 HD13 HD12 ' A' ' 59' ' ' ILE . 48.8 mt -103.44 119.68 52.35 Favored 'Isoleucine or valine' 0 C--O 1.235 0.318 0 N-CA-C 108.04 -1.096 . . . . 72.129999999999995 108.04 175.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.407 ' HB3' ' HB3' ' A' ' 60' ' ' GLN . 23.8 ttp180 -92.97 111.04 22.53 Favored 'General case' 0 C--O 1.241 0.62 0 N-CA-C 108.266 -1.013 . . . . 70.519999999999996 108.266 177.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.499 HD13 ' HB1' ' A' ' 19' ' ' ALA . 66.6 mt -88.53 107.63 18.99 Favored 'General case' 0 N--CA 1.448 -0.53 0 CA-C-N 113.66 -1.609 . . . . 65.329999999999998 107.937 -178.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.43 ' HG2' ' H ' ' A' ' 73' ' ' LYS . 12.9 ptpt -89.86 113.27 24.84 Favored 'General case' 0 C--N 1.313 -1.003 0 N-CA-C 108.2 -1.037 . . . . 73.420000000000002 108.2 -173.69 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -76.4 -2.19 73.17 Favored Glycine 0 N--CA 1.474 1.218 0 CA-C-N 115.576 -0.738 . . . . 72.030000000000001 113.476 -175.571 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.2 p -154.6 132.29 11.41 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.424 1.09 . . . . 72.129999999999995 109.063 -178.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.406 HD21 ' H ' ' A' ' 58' ' ' GLN . 4.2 mm? -110.45 168.19 9.64 Favored 'General case' 0 N--CA 1.483 1.206 0 CA-C-O 121.749 0.785 . . . . 72.430000000000007 111.321 178.383 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -85.5 177.23 7.83 Favored 'General case' 0 N--CA 1.476 0.844 0 CA-C-N 114.745 -1.116 . . . . 71.400000000000006 108.397 166.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 12.8 p80 -59.48 125.72 24.76 Favored 'General case' 0 N--CA 1.481 1.085 0 N-CA-C 109.552 -0.536 . . . . 73.0 109.552 176.27 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 54.3 p-80 -144.6 156.57 44.19 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 122.964 0.506 . . . . 72.219999999999999 110.34 -173.548 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 2.3 p80 -72.89 141.87 47.9 Favored 'General case' 0 CA--C 1.55 0.958 0 CA-C-N 115.793 -0.639 . . . . 73.109999999999999 110.333 -179.527 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 67.2 m-70 -83.38 -89.51 0.09 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 122.568 0.347 . . . . 74.319999999999993 110.173 179.629 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 -105.39 -30.33 9.66 Favored 'General case' 0 N--CA 1.487 1.393 0 C-N-CA 123.786 0.834 . . . . 74.010000000000005 110.455 -178.419 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 29.4 t-80 . . . . . 0 CA--C 1.549 0.935 0 N-CA-C 108.662 -0.866 . . . . 74.150000000000006 108.662 175.159 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.5 mtt . . . . . 0 N--CA 1.484 1.235 0 CA-C-O 121.043 0.449 . . . . 75.329999999999998 110.683 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 164.57 -54.17 0.28 Allowed Glycine 0 C--N 1.346 1.114 0 N-CA-C 110.354 -1.099 . . . . 55.420000000000002 110.354 177.212 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 27' ' ' LEU . 7.5 mp 57.55 25.49 11.62 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 124.707 1.203 . . . . 72.420000000000002 111.766 179.48 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.4 m -87.46 72.88 9.63 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 115.274 -0.875 . . . . 51.350000000000001 109.316 -176.669 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 ptm180 -68.96 165.26 20.41 Favored 'General case' 0 N--CA 1.477 0.877 0 CA-C-N 115.452 -0.794 . . . . 74.430000000000007 110.258 175.297 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 22.3 m -119.42 107.34 13.23 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 108.44 -0.948 . . . . 75.310000000000002 108.44 -177.152 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.512 ' HB ' HG12 ' A' ' 31' ' ' VAL . 56.6 mt -95.82 120.65 45.5 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 N-CA-C 109.054 -0.721 . . . . 75.430000000000007 109.054 -178.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.46 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 28.2 p -107.28 108.2 19.48 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 107.937 -1.134 . . . . 63.109999999999999 107.937 176.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.3 t -129.66 158.36 39.55 Favored 'General case' 0 C--O 1.243 0.743 0 CA-C-O 121.566 0.698 . . . . 51.310000000000002 111.245 -176.337 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -78.8 -28.66 44.58 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 113.681 -1.599 . . . . 64.430000000000007 110.662 178.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 27.7 t-20 -112.59 121.33 44.48 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 123.375 0.67 . . . . 73.200000000000003 110.229 -171.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.83 -25.56 60.15 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.009 0.924 . . . . 74.430000000000007 112.935 -179.813 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -66.4 -49.8 65.6 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 123.156 0.582 . . . . 75.200000000000003 110.094 -175.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -64.05 -30.08 71.18 Favored 'General case' 0 C--O 1.217 -0.648 0 CA-C-N 115.723 -0.671 . . . . 64.400000000000006 110.609 178.597 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 83.8 mt -65.24 -29.83 70.66 Favored 'General case' 0 C--N 1.358 0.971 0 C-N-CA 122.797 0.439 . . . . 72.219999999999999 110.969 175.516 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 48.7 mt -73.67 -39.94 64.06 Favored 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.295 0.638 . . . . 72.439999999999998 110.545 176.655 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.1 mt-10 -69.51 -49.2 56.86 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-N 115.407 -0.815 . . . . 63.539999999999999 111.825 -179.445 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' O ' ' HG2' ' A' ' 21' ' ' LYS . 69.2 mt -66.19 -32.18 56.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.886 0 C-N-CA 123.54 0.736 . . . . 55.140000000000001 109.576 178.277 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.475 ' HB1' HD12 ' A' ' 72' ' ' LEU . . . -58.77 -57.74 11.7 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-N 116.401 -0.363 . . . . 62.409999999999997 111.499 170.703 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 59.7 tp -55.05 -36.42 65.55 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 124.152 0.907 . . . . 74.310000000000002 111.903 -175.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.444 ' HG2' ' O ' ' A' ' 18' ' ' ILE . 20.7 ptmt -73.36 -33.96 65.34 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-O 119.434 -0.317 . . . . 75.209999999999994 111.564 179.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -70.28 -40.71 74.15 Favored 'General case' 0 N--CA 1.488 1.456 0 CA-C-N 118.05 0.386 . . . . 71.200000000000003 110.59 176.549 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.512 HG21 ' HB ' ' A' ' 55' ' ' THR . 49.6 mm -66.11 -34.39 69.9 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.836 0 O-C-N 123.628 0.58 . . . . 62.450000000000003 109.641 177.218 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -67.11 -27.36 67.27 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.698 0.799 . . . . 43.100000000000001 111.676 175.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -88.54 -5.36 58.25 Favored 'General case' 0 N--CA 1.479 1.021 0 C-N-CA 123.598 0.759 . . . . 54.109999999999999 110.817 175.749 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 65.77 39.27 95.12 Favored Glycine 0 C--N 1.352 1.433 0 CA-C-O 121.513 0.507 . . . . 73.200000000000003 112.3 -176.133 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.418 HD22 HD22 ' A' ' 3' ' ' LEU . 88.6 mt -114.33 146.19 40.83 Favored 'General case' 0 C--O 1.242 0.7 0 C-N-CA 124.742 1.217 . . . . 55.25 108.903 179.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 13.1 m-20 -78.95 142.39 36.74 Favored 'General case' 0 C--O 1.243 0.718 0 N-CA-C 108.66 -0.867 . . . . 64.530000000000001 108.66 172.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 19' ' ' ALA . 52.4 tp -139.43 127.45 22.31 Favored 'General case' 0 N--CA 1.468 0.473 0 N-CA-C 109.027 -0.731 . . . . 71.049999999999997 109.027 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.434 ' HA ' ' HA ' ' A' ' 71' ' ' ARG . 39.7 tt0 -107.3 126.64 52.7 Favored 'General case' 0 CA--C 1.536 0.413 0 N-CA-C 108.184 -1.043 . . . . 41.549999999999997 108.184 174.032 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.512 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.6 m -123.4 119.78 58.36 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.541 0 N-CA-C 108.998 -0.741 . . . . 62.240000000000002 108.998 178.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.552 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 41.6 tt0 -103.06 110.71 22.74 Favored 'General case' 0 N--CA 1.464 0.261 0 N-CA-C 107.649 -1.241 . . . . 64.430000000000007 107.649 174.196 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -77.37 111.89 13.53 Favored 'General case' 0 C--O 1.244 0.806 0 N-CA-C 108.452 -0.944 . . . . 44.119999999999997 108.452 -178.823 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.518 ' HA ' ' HD2' ' A' ' 67' ' ' LYS . 17.1 t70 -84.12 79.43 9.52 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-N 115.577 -0.738 . . . . 72.439999999999998 109.171 -175.599 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.2 t -157.08 130.74 8.11 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 114.769 -1.105 . . . . 64.129999999999995 109.02 178.067 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 82.8 p -94.87 0.58 54.92 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 123.689 0.796 . . . . 64.219999999999999 110.829 174.105 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -82.67 119.11 23.88 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 109.629 -0.508 . . . . 71.439999999999998 109.629 -172.651 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.487 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 36.1 m-20 -46.9 -50.43 18.75 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 124.853 1.345 . . . . 73.450000000000003 112.765 -175.885 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.424 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 30.9 mmmt -58.88 -48.02 82.89 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 124.505 1.128 . . . . 75.200000000000003 111.596 -175.387 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -65.63 -33.74 76.6 Favored 'General case' 0 N--CA 1.476 0.869 0 O-C-N 124.122 0.889 . . . . 72.409999999999997 112.952 178.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.507 HD13 ' HH2' ' A' ' 63' ' ' TRP . 91.7 mt -70.57 -36.41 65.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.862 0 C-N-CA 123.523 0.729 . . . . 62.409999999999997 110.119 177.078 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.487 ' HG2' ' O ' ' A' ' 38' ' ' ASP . 33.7 mm-40 -60.11 -43.62 95.48 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.28 0.632 . . . . 73.430000000000007 109.946 173.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.424 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 24.3 mm-40 -57.51 -52.74 64.16 Favored 'General case' 0 C--N 1.353 0.74 0 O-C-N 124.307 1.004 . . . . 75.219999999999999 111.597 175.052 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 53.3 t80 -62.5 -40.14 95.77 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.303 0.641 . . . . 63.119999999999997 111.503 -173.737 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -64.18 -56.23 16.2 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.621 0.769 . . . . 75.340000000000003 112.138 177.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG3' ' N ' ' A' ' 47' ' ' ASP . 19.6 ptt180 -59.09 -43.71 91.85 Favored 'General case' 0 C--N 1.358 0.945 0 O-C-N 123.914 0.759 . . . . 75.049999999999997 110.736 -175.142 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' HG3' ' A' ' 46' ' ' ARG . 80.3 m-20 -68.37 -36.5 79.28 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 115.035 -0.984 . . . . 73.040000000000006 112.695 -179.691 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.427 ' HE3' HG21 ' A' ' 31' ' ' VAL . 17.8 mmt -73.51 -29.17 62.32 Favored 'General case' 0 N--CA 1.489 1.516 0 C-N-CA 122.667 0.387 . . . . 73.340000000000003 111.333 176.361 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 64.6 mm-40 -62.11 -54.7 37.61 Favored 'General case' 0 N--CA 1.477 0.911 0 O-C-N 123.63 0.581 . . . . 53.109999999999999 110.294 170.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -62.88 -42.18 99.67 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.046 0.538 . . . . 72.129999999999995 111.604 179.751 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 59.8 tp -61.49 -43.96 97.94 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.538 0.735 . . . . 74.400000000000006 110.056 -178.769 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.91 -48.76 77.48 Favored 'General case' 0 C--N 1.35 0.62 0 O-C-N 124.07 0.856 . . . . 70.209999999999994 112.118 176.468 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 27.8 mtpp -60.31 -51.98 67.24 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 115.758 -0.655 . . . . 73.129999999999995 111.163 178.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 58.3 mtpt -63.4 -28.06 69.72 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.863 0.865 . . . . 71.109999999999999 112.771 -175.573 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.512 ' HB ' HG21 ' A' ' 23' ' ' ILE . 56.3 p -92.28 -22.68 19.61 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 122.747 0.419 . . . . 61.25 111.638 178.721 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 78.45 35.0 34.28 Favored Glycine 0 C--N 1.353 1.492 0 O-C-N 123.236 0.335 . . . . 64.319999999999993 112.834 -172.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 4.5 m -117.82 169.0 8.93 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.162 0 C-N-CA 123.496 0.718 . . . . 54.240000000000002 111.046 174.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.498 ' HB2' ' HD2' ' A' ' 73' ' ' LYS . 86.5 mm-40 -110.91 156.85 20.59 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.548 0.739 . . . . 75.120000000000005 109.03 174.401 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 12.6 pt -109.78 174.81 1.74 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.909 0 C-N-CA 122.929 0.492 . . . . 70.340000000000003 110.174 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 58.6 tp60 -145.57 102.48 3.7 Favored 'General case' 0 CA--C 1.535 0.371 0 N-CA-C 108.643 -0.873 . . . . 61.409999999999997 108.643 168.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 48.5 mttp -74.36 128.24 35.03 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.69 -0.856 . . . . 72.140000000000001 108.69 172.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 32.3 tt0 -140.84 106.88 5.18 Favored 'General case' 0 C--O 1.235 0.326 0 N-CA-C 108.025 -1.102 . . . . 75.310000000000002 108.025 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.507 ' HH2' HD13 ' A' ' 41' ' ' ILE . 78.4 m95 -70.97 110.09 5.47 Favored 'General case' 0 C--O 1.236 0.364 0 CA-C-O 121.4 0.619 . . . . 73.0 109.466 172.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -102.68 85.23 2.53 Favored 'General case' 0 C--O 1.236 0.386 0 N-CA-C 106.482 -1.673 . . . . 71.010000000000005 106.482 -177.016 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 76.93 -83.35 1.06 Allowed Glycine 0 C--N 1.343 0.923 0 CA-C-N 114.983 -1.008 . . . . 43.409999999999997 112.329 -175.246 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -141.28 4.31 1.8 Allowed 'General case' 0 N--CA 1.486 1.333 0 C-N-CA 123.574 0.75 . . . . 72.239999999999995 110.636 -174.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.518 ' HD2' ' HA ' ' A' ' 34' ' ' ASP . 31.2 mmtp -117.72 137.74 52.49 Favored 'General case' 0 N--CA 1.486 1.35 0 C-N-CA 124.036 0.934 . . . . 70.5 109.375 179.492 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 62.0 tp -86.3 109.48 19.0 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-O 121.023 0.44 . . . . 72.129999999999995 110.004 -178.386 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.552 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.3 ttm180 -100.53 109.98 22.11 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 124.582 1.153 . . . . 63.530000000000001 109.69 178.071 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 49.6 mt -109.72 122.09 63.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 N-CA-C 108.704 -0.85 . . . . 72.549999999999997 108.704 176.673 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.434 ' HA ' ' HA ' ' A' ' 30' ' ' GLU . 55.0 ttt180 -95.47 138.21 33.47 Favored 'General case' 0 N--CA 1.47 0.574 0 N-CA-C 108.723 -0.843 . . . . 65.129999999999995 108.723 172.549 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.475 HD12 ' HB1' ' A' ' 19' ' ' ALA . 39.0 mt -109.62 135.7 50.17 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 107.552 -1.277 . . . . 74.409999999999997 107.552 170.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.498 ' HD2' ' HB2' ' A' ' 58' ' ' GLN . 6.5 ptpt -98.64 158.1 15.83 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 109.148 -0.686 . . . . 72.340000000000003 109.148 175.707 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -67.42 -47.48 62.86 Favored Glycine 0 N--CA 1.479 1.564 0 N-CA-C 114.634 0.614 . . . . 70.349999999999994 114.634 -169.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.401 ' HB2' ' HB3' ' A' ' 78' ' ' HIS . 67.1 p -175.16 146.93 0.88 Allowed 'General case' 0 N--CA 1.486 1.353 0 C-N-CA 124.372 1.069 . . . . 75.450000000000003 109.832 -176.372 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -114.69 -71.57 0.74 Allowed 'General case' 0 N--CA 1.489 1.475 0 CA-C-O 121.473 0.654 . . . . 62.140000000000001 109.511 -176.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -59.48 -18.33 39.0 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.592 1.557 . . . . 72.450000000000003 113.093 178.432 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.401 ' HB3' ' HB2' ' A' ' 75' ' ' SER . 44.9 t-80 -80.82 35.24 0.36 Allowed 'General case' 0 N--CA 1.486 1.37 0 C-N-CA 123.964 0.906 . . . . 74.400000000000006 112.022 -177.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 73.9 m80 -132.44 122.54 25.1 Favored 'General case' 0 N--CA 1.473 0.725 0 N-CA-C 108.319 -0.993 . . . . 74.549999999999997 108.319 173.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 49.0 m-70 -71.37 82.89 0.78 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.853 0.861 . . . . 63.030000000000001 109.596 176.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 16.3 t-80 -67.06 86.56 0.14 Allowed 'General case' 0 CA--C 1.543 0.677 0 C-N-CA 124.357 1.063 . . . . 71.420000000000002 111.595 -174.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 43.3 m80 -146.23 169.92 17.79 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 114.667 -1.151 . . . . 63.409999999999997 109.572 178.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 27.2 p-80 . . . . . 0 C--O 1.25 1.082 0 N-CA-C 108.75 -0.833 . . . . 73.349999999999994 108.75 175.321 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 mmt . . . . . 0 N--CA 1.481 1.116 0 N-CA-C 110.497 -0.186 . . . . 73.519999999999996 110.497 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -87.83 35.51 3.51 Favored Glycine 0 C--N 1.351 1.367 0 N-CA-C 113.953 0.341 . . . . 33.210000000000001 113.953 -175.307 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.5 mt -109.63 103.25 12.08 Favored 'General case' 0 N--CA 1.471 0.625 0 C-N-CA 124.013 0.925 . . . . 75.239999999999995 108.827 175.166 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.417 HG22 ' HB2' ' A' ' 30' ' ' GLU . 25.4 m -73.05 88.37 1.41 Allowed 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 124.51 1.124 . . . . 72.040000000000006 109.816 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 13.5 ptm180 -75.65 164.01 26.73 Favored 'General case' 0 N--CA 1.478 0.964 0 CA-C-N 114.715 -1.129 . . . . 74.439999999999998 111.697 -179.222 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.478 ' HA ' ' O ' ' A' ' 30' ' ' GLU . 14.0 m -119.16 118.32 31.03 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.478 0.711 . . . . 75.140000000000001 109.885 -175.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 ' HB ' HG12 ' A' ' 31' ' ' VAL . 55.8 mt -105.84 112.53 39.55 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.709 0 C-N-CA 123.811 0.844 . . . . 64.319999999999993 109.196 -179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.467 HG22 ' HB3' ' A' ' 32' ' ' GLU . 40.6 p -100.6 109.66 21.76 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 123.715 0.806 . . . . 71.109999999999999 108.869 -178.606 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 20.0 m -136.41 143.85 44.19 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 122.743 0.417 . . . . 74.200000000000003 111.493 -177.416 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 48.0 mt-30 -79.45 -10.7 59.86 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.598 1.159 . . . . 73.319999999999993 111.499 179.58 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 35.6 t30 -115.48 120.2 38.73 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.215 1.006 . . . . 60.219999999999999 110.067 179.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.41 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -73.71 -23.68 59.82 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.414 0.686 . . . . 54.32 111.995 179.444 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -63.87 -53.33 52.19 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 123.134 0.574 . . . . 75.439999999999998 111.193 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -65.07 -29.8 70.71 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.408 -0.36 . . . . 72.120000000000005 110.382 178.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 70.6 mt -63.66 -32.75 74.32 Favored 'General case' 0 CA--C 1.55 0.961 0 CA-C-O 119.339 -0.362 . . . . 64.439999999999998 111.049 173.653 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.41 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.9 mt -73.06 -43.94 61.27 Favored 'General case' 0 N--CA 1.491 1.621 0 C-N-CA 123.444 0.697 . . . . 73.150000000000006 111.085 179.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -70.79 -48.13 55.87 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 115.535 -0.757 . . . . 74.140000000000001 111.308 -176.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 78.2 mt -66.4 -33.29 62.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 123.537 0.735 . . . . 63.310000000000002 109.771 177.5 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.485 ' O ' HG12 ' A' ' 23' ' ' ILE . . . -55.65 -55.89 26.81 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 122.428 0.291 . . . . 71.030000000000001 110.95 170.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.4 tp -55.8 -28.86 58.28 Favored 'General case' 0 CA--C 1.552 1.037 0 O-C-N 124.567 1.167 . . . . 70.540000000000006 111.86 -176.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 4.6 ttmp? -59.4 -53.56 56.83 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.505 0.722 . . . . 53.0 110.761 172.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 59.6 m-85 -71.54 -36.96 71.15 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.065 0.546 . . . . 71.150000000000006 111.142 -176.248 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.485 HG12 ' O ' ' A' ' 19' ' ' ALA . 41.4 mm -68.41 -37.85 78.47 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.978 0 N-CA-C 109.59 -0.522 . . . . 64.540000000000006 109.59 -178.196 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 33.8 t -62.19 -31.71 72.26 Favored 'General case' 0 N--CA 1.484 1.243 0 C-N-CA 123.653 0.781 . . . . 74.140000000000001 112.006 174.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 46.7 mt-30 -82.55 -11.61 58.32 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.368 0.667 . . . . 65.219999999999999 111.345 179.624 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.06 23.18 61.92 Favored Glycine 0 C--N 1.357 1.702 0 O-C-N 123.15 0.281 . . . . 60.43 112.807 -176.22 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.47 145.62 26.02 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.518 1.127 . . . . 72.230000000000004 110.945 -178.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -80.99 136.81 36.06 Favored 'General case' 0 C--O 1.243 0.726 0 N-CA-C 108.809 -0.812 . . . . 72.209999999999994 108.809 170.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . . . . . . . . . 44.6 tp -131.92 158.2 42.02 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 108.197 -1.038 . . . . 72.200000000000003 108.197 -177.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.478 ' O ' ' HA ' ' A' ' 6' ' ' THR . 32.2 tt0 -134.65 120.52 19.64 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 107.175 -1.417 . . . . 51.409999999999997 107.175 173.825 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.431 HG12 ' HB ' ' A' ' 7' ' ' ILE . 3.1 m -119.77 120.62 63.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.696 0 C-N-CA 123.364 0.666 . . . . 75.230000000000004 109.316 -178.112 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.557 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 38.8 tt0 -104.93 118.8 37.44 Favored 'General case' 0 C--O 1.236 0.352 0 N-CA-C 109.013 -0.736 . . . . 72.530000000000001 109.013 176.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 15.2 t80 -79.96 109.93 14.86 Favored 'General case' 0 C--O 1.243 0.726 0 CA-C-N 115.819 -0.628 . . . . 62.32 109.412 -179.06 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -85.22 79.93 9.38 Favored 'General case' 0 CA--C 1.541 0.615 0 C-N-CA 124.09 0.956 . . . . 60.340000000000003 109.388 -177.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 33.7 t -157.17 144.59 18.78 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 115.818 -0.628 . . . . 75.420000000000002 110.858 177.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 37.2 p -98.45 3.52 48.34 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.529 1.131 . . . . 64.340000000000003 111.284 176.097 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -90.62 111.7 23.12 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 123.583 0.753 . . . . 64.329999999999998 109.174 -178.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -57.13 -42.68 81.38 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 124.476 1.111 . . . . 71.420000000000002 113.583 -176.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -63.32 -41.74 98.94 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.462 0.705 . . . . 64.219999999999999 110.936 -178.214 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 74.1 mm-40 -63.3 -39.59 95.0 Favored 'General case' 0 CA--C 1.544 0.727 0 O-C-N 124.112 0.882 . . . . 73.230000000000004 111.108 176.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.415 HG21 ' CH2' ' A' ' 63' ' ' TRP . 90.5 mt -63.93 -41.21 91.77 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.853 0 C-N-CA 124.1 0.96 . . . . 75.530000000000001 111.071 177.807 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 46' ' ' ARG . 63.5 mt-10 -67.73 -35.37 78.64 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 123.329 0.652 . . . . 72.150000000000006 110.587 179.399 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.7 mm-40 -58.54 -48.27 81.42 Favored 'General case' 0 C--N 1.356 0.891 0 O-C-N 123.858 0.724 . . . . 73.200000000000003 109.836 171.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.421 ' HD2' HD23 ' A' ' 68' ' ' LEU . 77.9 t80 -62.7 -36.93 84.51 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 123.855 0.862 . . . . 63.119999999999997 111.029 -177.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.403 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 43.6 mt-10 -61.02 -63.14 1.4 Allowed 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.284 0.633 . . . . 73.349999999999994 111.153 176.095 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 42' ' ' GLU . 4.7 ptp180 -63.73 -39.46 94.35 Favored 'General case' 0 N--CA 1.473 0.702 0 O-C-N 123.951 0.782 . . . . 73.430000000000007 111.732 -173.79 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' HB3' HD21 ' A' ' 16' ' ' LEU . 24.0 m-20 -61.69 -45.81 92.38 Favored 'General case' 0 N--CA 1.479 0.976 0 N-CA-C 112.708 0.632 . . . . 74.439999999999998 112.708 175.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.41 ' HE3' HG21 ' A' ' 31' ' ' VAL . 21.5 mmt -67.12 -32.68 73.98 Favored 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 112.243 0.46 . . . . 73.450000000000003 112.243 177.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -68.8 -46.4 68.78 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.054 0.542 . . . . 64.129999999999995 110.942 174.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -64.37 -34.52 78.35 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 122.863 0.465 . . . . 74.299999999999997 110.254 178.344 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 55.4 tp -63.52 -40.9 98.25 Favored 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.052 0.941 . . . . 72.439999999999998 110.324 173.073 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -65.81 -37.18 85.56 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 123.541 0.736 . . . . 74.420000000000002 111.225 176.763 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.96 -49.15 71.44 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 122.765 0.426 . . . . 74.120000000000005 110.569 175.019 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.1 mtpp -51.62 -42.51 62.06 Favored 'General case' 0 N--CA 1.487 1.406 0 C-N-CA 124.601 1.16 . . . . 71.549999999999997 112.649 179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 69.4 p -96.31 -9.23 30.67 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.603 0.761 . . . . 72.099999999999994 111.794 -175.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 70.93 23.96 77.54 Favored Glycine 0 C--N 1.357 1.748 0 N-CA-C 113.742 0.257 . . . . 61.219999999999999 113.742 -178.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 10.7 m -105.97 -179.43 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.284 0 C-N-CA 124.396 1.078 . . . . 62.43 109.891 178.227 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . . . . . . . . . 21.6 mt-30 -125.35 166.36 16.71 Favored 'General case' 0 N--CA 1.486 1.364 0 C-N-CA 123.288 0.635 . . . . 74.310000000000002 110.587 -178.767 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 17.2 pt -131.29 170.39 19.85 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.299 0 CA-C-O 121.173 0.511 . . . . 44.0 110.9 -179.719 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -132.21 130.97 41.69 Favored 'General case' 0 N--CA 1.475 0.794 0 C-N-CA 124.667 1.187 . . . . 43.240000000000002 108.179 175.55 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -108.11 126.96 53.37 Favored 'General case' 0 N--CA 1.48 1.068 0 N-CA-C 109.308 -0.627 . . . . 72.040000000000006 109.308 178.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 63.0 tp60 -140.29 121.61 14.95 Favored 'General case' 0 N--CA 1.469 0.514 0 C-N-CA 123.646 0.779 . . . . 75.439999999999998 109.846 178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . 0.415 ' CH2' HG21 ' A' ' 41' ' ' ILE . 58.2 m95 -89.86 143.65 26.62 Favored 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.316 0.646 . . . . 73.030000000000001 110.047 175.1 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 24.7 tp60 -149.87 105.73 3.44 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.05 0.94 . . . . 71.0 108.582 175.359 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.37 45.73 95.85 Favored Glycine 0 C--N 1.347 1.176 0 O-C-N 123.831 0.707 . . . . 64.349999999999994 113.257 -179.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 21.7 t-20 65.49 30.02 10.93 Favored 'General case' 0 N--CA 1.483 1.217 0 C-N-CA 124.687 1.195 . . . . 74.219999999999999 111.232 177.635 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 47.7 mmtm -120.54 126.95 51.65 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 123.916 0.886 . . . . 54.329999999999998 108.649 171.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.421 HD23 ' HD2' ' A' ' 44' ' ' PHE . 58.2 tp -91.05 111.27 22.67 Favored 'General case' 0 CA--C 1.533 0.306 0 N-CA-C 109.152 -0.684 . . . . 75.239999999999995 109.152 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.557 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 22.4 ttp180 -101.77 113.75 27.21 Favored 'General case' 0 C--N 1.322 -0.626 0 C-N-CA 124.201 1.0 . . . . 74.310000000000002 108.939 173.675 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 40.3 mt -104.74 124.13 59.16 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.508 0 N-CA-C 108.443 -0.947 . . . . 73.319999999999993 108.443 175.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 49.1 ttt-85 -94.81 127.04 40.52 Favored 'General case' 0 C--O 1.237 0.413 0 N-CA-C 108.91 -0.774 . . . . 61.009999999999998 108.91 176.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 42.2 mt -104.94 151.87 23.37 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.665 1.186 . . . . 64.040000000000006 109.695 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.408 ' HD3' HD21 ' A' ' 76' ' ' LEU . 4.4 ptpt -120.92 143.16 49.11 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.407 0.683 . . . . 62.32 109.759 167.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.456 ' HA2' HG23 ' A' ' 23' ' ' ILE . . . -74.74 -25.71 69.05 Favored Glycine 0 C--N 1.347 1.15 0 O-C-N 123.558 0.536 . . . . 71.319999999999993 112.056 179.291 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 35.7 p -163.7 165.57 23.08 Favored 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 124.448 1.099 . . . . 63.43 110.623 -178.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.408 HD21 ' HD3' ' A' ' 73' ' ' LYS . 36.8 mt -135.99 166.15 24.02 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.961 1.705 . . . . 62.219999999999999 107.498 170.303 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -72.91 144.77 47.23 Favored 'General case' 0 C--O 1.244 0.794 0 N-CA-C 107.999 -1.112 . . . . 74.010000000000005 107.999 167.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 40.0 m80 -61.31 106.0 0.57 Allowed 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 122.965 0.506 . . . . 55.149999999999999 110.31 -177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 68.9 m-70 -57.66 115.1 2.58 Favored 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.432 1.093 . . . . 73.530000000000001 111.398 -176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.1 t-80 -73.74 79.59 1.56 Allowed 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.794 0.807 . . . . 65.299999999999997 109.918 176.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 29.0 m80 -152.62 131.07 12.15 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 125.877 1.671 . . . . 74.010000000000005 107.479 178.473 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -78.01 80.7 4.43 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 109.63 -0.508 . . . . 73.450000000000003 109.63 178.269 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 18.6 p80 . . . . . 0 CA--C 1.559 1.289 0 C-N-CA 123.494 0.718 . . . . 63.200000000000003 110.314 -177.047 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 62.9 mtt . . . . . 0 N--CA 1.48 1.062 0 N-CA-C 109.3 -0.629 . . . . 74.340000000000003 109.3 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.596 ' HA3' HD22 ' A' ' 27' ' ' LEU . . . -85.35 79.38 1.9 Allowed Glycine 0 C--N 1.35 1.34 0 N-CA-C 111.01 -0.836 . . . . 72.540000000000006 111.01 177.049 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -59.82 139.02 57.63 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 123.847 0.859 . . . . 75.420000000000002 111.805 -170.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 15.3 m -79.92 70.3 6.45 Favored 'General case' 0 C--O 1.24 0.575 0 CA-C-N 115.143 -0.935 . . . . 71.019999999999996 108.632 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 16.2 ptp180 -62.57 155.72 25.15 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 113.761 -1.563 . . . . 75.540000000000006 110.341 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 42.1 m -109.25 104.16 13.26 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 107.639 -1.245 . . . . 61.340000000000003 107.639 -177.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.45 ' HB ' HG12 ' A' ' 31' ' ' VAL . 33.4 mt -93.31 111.09 24.19 Favored 'Isoleucine or valine' 0 C--O 1.236 0.392 0 N-CA-C 108.848 -0.797 . . . . 71.230000000000004 108.848 -174.129 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' THR . . . . . 0.459 ' HA ' ' O ' ' A' ' 32' ' ' GLU . 29.0 p -101.42 106.08 17.17 Favored 'General case' 0 C--O 1.235 0.305 0 N-CA-C 108.027 -1.101 . . . . 63.119999999999997 108.027 -179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 43.4 m -136.18 156.45 48.67 Favored 'General case' 0 N--CA 1.472 0.667 0 C-N-CA 123.517 0.727 . . . . 62.119999999999997 109.797 179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' O ' ' A' ' 34' ' ' ASP . 81.6 mt-30 -100.8 -2.7 31.57 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.786 0.835 . . . . 61.520000000000003 111.284 -178.535 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -112.89 115.14 27.98 Favored 'General case' 0 N--CA 1.477 0.907 0 N-CA-C 108.182 -1.044 . . . . 52.439999999999998 108.182 174.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.568 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 0.0 OUTLIER -72.61 -31.28 65.05 Favored 'General case' 0 N--CA 1.474 0.747 0 CA-C-O 118.78 -0.628 . . . . 72.230000000000004 112.272 -178.441 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -57.67 -52.87 63.67 Favored 'General case' 0 N--CA 1.484 1.244 0 C-N-CA 123.269 0.628 . . . . 72.0 111.116 -174.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -63.71 -29.57 70.77 Favored 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 115.343 -0.844 . . . . 74.209999999999994 111.122 178.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 88.1 mt -69.18 -31.29 69.8 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 122.737 0.415 . . . . 62.240000000000002 111.051 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.568 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 51.5 mt -72.78 -37.34 67.64 Favored 'General case' 0 N--CA 1.485 1.29 0 C-N-CA 123.409 0.683 . . . . 73.409999999999997 109.328 179.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -71.31 -46.04 61.63 Favored 'General case' 0 CA--C 1.553 1.073 0 CA-C-N 114.824 -1.08 . . . . 60.329999999999998 112.15 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 98.5 mt -66.12 -34.58 71.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.426 0 C-N-CA 122.972 0.509 . . . . 73.129999999999995 109.883 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.424 ' HA ' HD23 ' A' ' 29' ' ' LEU . . . -58.59 -58.59 7.88 Favored 'General case' 0 C--N 1.349 0.573 0 CA-C-N 115.746 -0.661 . . . . 43.329999999999998 110.219 174.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 55.8 tp -50.21 -38.05 38.38 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.501 1.52 . . . . 71.040000000000006 111.845 179.197 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -62.28 -52.4 63.85 Favored 'General case' 0 CA--C 1.548 0.885 0 C-N-CA 124.261 1.024 . . . . 73.120000000000005 111.402 176.154 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -70.53 -37.64 74.11 Favored 'General case' 0 N--CA 1.488 1.466 0 C-N-CA 122.894 0.477 . . . . 71.140000000000001 110.902 -174.563 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . 0.521 HD11 ' HB3' ' A' ' 72' ' ' LEU . 47.0 mm -67.39 -42.66 87.62 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.555 0 C-N-CA 123.522 0.729 . . . . 72.340000000000003 109.461 -178.38 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.5 t -62.35 -32.91 73.76 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.57 0.748 . . . . 73.329999999999998 111.89 178.08 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLN . . . . . . . . . . . . . 47.0 mt-30 -78.41 -20.54 50.9 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.311 0.644 . . . . 72.439999999999998 111.304 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.81 17.8 59.21 Favored Glycine 0 C--N 1.351 1.366 0 O-C-N 123.15 0.281 . . . . 44.310000000000002 112.699 -175.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.596 HD22 ' HA3' ' A' ' 2' ' ' GLY . 89.3 mt -89.86 136.72 32.87 Favored 'General case' 0 C--O 1.244 0.769 0 C-N-CA 124.039 0.936 . . . . 63.119999999999997 109.69 176.001 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -73.88 138.18 44.19 Favored 'General case' 0 C--O 1.244 0.796 0 N-CA-C 108.498 -0.927 . . . . 64.239999999999995 108.498 172.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.424 HD23 ' HA ' ' A' ' 19' ' ' ALA . 54.4 tp -137.14 136.68 38.47 Favored 'General case' 0 C--O 1.207 -1.153 0 N-CA-C 109.18 -0.674 . . . . 64.030000000000001 109.18 -176.574 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 33.7 tt0 -113.66 121.26 43.6 Favored 'General case' 0 N--CA 1.469 0.481 0 N-CA-C 108.185 -1.043 . . . . 61.109999999999999 108.185 173.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.45 HG12 ' HB ' ' A' ' 7' ' ' ILE . 2.1 m -117.06 116.96 53.77 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.202 0 N-CA-C 109.393 -0.595 . . . . 51.049999999999997 109.393 179.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 69' ' ' ARG . 33.6 tt0 -105.3 104.53 14.27 Favored 'General case' 0 N--CA 1.467 0.39 0 N-CA-C 107.962 -1.125 . . . . 74.430000000000007 107.962 178.509 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -78.48 105.53 9.81 Favored 'General case' 0 C--O 1.243 0.76 0 N-CA-C 108.814 -0.81 . . . . 75.409999999999997 108.814 -175.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.421 ' O ' ' HG2' ' A' ' 10' ' ' GLN . 34.2 t70 -85.45 79.6 9.38 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 115.066 -0.97 . . . . 74.340000000000003 109.833 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.3 p -155.44 160.63 40.78 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 115.095 -0.957 . . . . 72.310000000000002 109.628 178.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' THR . . . . . . . . . . . . . 36.6 p -123.42 15.95 9.68 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 123.729 0.812 . . . . 42.25 110.546 174.244 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -91.27 106.34 18.43 Favored 'General case' 0 C--O 1.238 0.463 0 N-CA-C 107.909 -1.145 . . . . 63.210000000000001 107.909 178.155 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.421 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 32.7 m-20 -53.94 -36.15 62.49 Favored 'General case' 0 N--CA 1.478 0.945 0 O-C-N 124.097 0.873 . . . . 60.030000000000001 113.31 -175.624 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -62.48 -57.42 11.26 Favored 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 123.086 0.554 . . . . 73.25 111.068 -173.42 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -70.26 -28.12 64.97 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 115.922 -0.581 . . . . 72.099999999999994 110.99 -177.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ILE . . . . . 0.496 ' O ' ' HG3' ' A' ' 45' ' ' GLU . 62.5 mt -60.69 -44.26 96.77 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.247 0 C-N-CA 123.274 0.63 . . . . 54.200000000000003 111.126 171.167 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.421 ' HG3' ' O ' ' A' ' 38' ' ' ASP . 47.0 mt-10 -63.71 -40.76 97.58 Favored 'General case' 0 N--CA 1.486 1.344 0 C-N-CA 123.687 0.795 . . . . 72.239999999999995 111.753 179.467 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -68.4 -32.62 72.81 Favored 'General case' 0 C--O 1.246 0.908 0 CA-C-N 115.418 -0.81 . . . . 54.340000000000003 111.251 178.588 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.428 ' CE1' ' HE3' ' A' ' 48' ' ' MET . 84.8 t80 -67.25 -44.5 79.25 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.697 0.799 . . . . 74.420000000000002 109.326 175.022 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.496 ' HG3' ' O ' ' A' ' 41' ' ' ILE . 47.2 mt-10 -55.28 -62.97 1.32 Allowed 'General case' 0 C--N 1.363 1.186 0 C-N-CA 124.008 0.923 . . . . 64.219999999999999 110.856 177.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -59.12 -42.79 91.43 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 124.659 1.224 . . . . 73.25 112.175 -171.652 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -71.34 -31.59 67.55 Favored 'General case' 0 C--N 1.358 0.951 0 O-C-N 123.286 0.366 . . . . 64.349999999999994 111.885 -178.138 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.428 ' HE3' ' CE1' ' A' ' 44' ' ' PHE . 22.6 mmt -72.12 -40.46 68.1 Favored 'General case' 0 N--CA 1.491 1.581 0 C-N-CA 122.531 0.332 . . . . 72.209999999999994 111.562 174.529 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -63.23 -44.28 95.7 Favored 'General case' 0 N--CA 1.481 1.081 0 C-N-CA 123.758 0.823 . . . . 72.0 110.671 177.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -66.42 -43.28 86.13 Favored 'General case' 0 C--O 1.215 -0.722 0 CA-C-N 115.818 -0.628 . . . . 72.510000000000005 110.077 176.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.402 HD21 HG13 ' A' ' 23' ' ' ILE . 51.0 tp -52.31 -50.65 61.79 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.399 0.68 . . . . 74.140000000000001 110.311 179.106 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.454 ' HB2' HG23 ' A' ' 59' ' ' ILE . . . -63.16 -50.78 69.02 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 114.57 -1.196 . . . . 73.120000000000005 112.079 -178.192 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.437 ' N ' ' HE2' ' A' ' 53' ' ' LYS . 1.0 OUTLIER -64.8 -42.27 95.14 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 122.667 0.387 . . . . 53.329999999999998 111.599 -175.84 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 51.7 mtpt -61.47 -33.53 73.92 Favored 'General case' 0 N--CA 1.483 1.186 0 C-N-CA 124.316 1.046 . . . . 71.319999999999993 111.812 177.033 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 75.0 p -95.07 -2.46 50.09 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.349 0.66 . . . . 72.329999999999998 111.869 178.26 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . 76.85 14.45 82.56 Favored Glycine 0 C--N 1.353 1.496 0 N-CA-C 114.608 0.603 . . . . 71.120000000000005 114.608 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 23.5 m -105.66 179.48 0.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 C-N-CA 123.471 0.709 . . . . 71.400000000000006 109.835 178.422 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLN . . . . . 0.698 ' HG2' HD11 ' A' ' 76' ' ' LEU . 12.5 mm100 -115.13 166.49 11.77 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.516 0.726 . . . . 71.409999999999997 110.795 -179.372 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.454 HG23 ' HB2' ' A' ' 52' ' ' ALA . 46.4 pt -135.13 167.47 25.58 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 123.652 0.781 . . . . 74.230000000000004 109.806 170.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLN . . . . . . . . . . . . . 22.1 mm-40 -134.61 113.04 11.33 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.784 0.833 . . . . 75.400000000000006 110.199 177.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -82.5 117.6 22.63 Favored 'General case' 0 N--CA 1.471 0.581 0 N-CA-C 108.807 -0.812 . . . . 73.239999999999995 108.807 174.565 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLN . . . . . . . . . . . . . 7.0 tp-100 -128.34 99.6 5.49 Favored 'General case' 0 C--N 1.322 -0.61 0 N-CA-C 107.569 -1.271 . . . . 75.340000000000003 107.569 178.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' TRP . . . . . . . . . . . . . 61.2 m95 -73.79 128.18 34.82 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 108.502 -0.925 . . . . 63.149999999999999 108.502 177.015 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -130.51 96.12 4.04 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 107.638 -1.245 . . . . 74.530000000000001 107.638 -177.163 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 58.72 56.56 24.6 Favored Glycine 0 C--N 1.352 1.44 0 O-C-N 123.569 0.543 . . . . 63.32 113.387 177.255 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 69.62 8.38 6.71 Favored 'General case' 0 N--CA 1.494 1.734 0 C-N-CA 124.944 1.297 . . . . 72.030000000000001 112.984 177.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 32.9 mmtp -113.6 125.72 54.48 Favored 'General case' 0 N--CA 1.485 1.319 0 N-CA-C 107.993 -1.114 . . . . 61.240000000000002 107.993 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.4 HD23 ' HD2' ' A' ' 44' ' ' PHE . 42.0 tp -85.41 108.38 17.83 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 122.53 0.332 . . . . 72.120000000000005 110.106 -176.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . 0.537 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 16.9 ttp180 -99.89 112.33 24.6 Favored 'General case' 0 C--O 1.219 -0.51 0 N-CA-C 109.298 -0.63 . . . . 60.530000000000001 109.298 173.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 48.4 mt -102.86 122.04 54.75 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.544 0 N-CA-C 108.273 -1.01 . . . . 64.430000000000007 108.273 174.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 75.1 ttt-85 -93.78 121.74 35.53 Favored 'General case' 0 C--O 1.236 0.364 0 N-CA-C 108.38 -0.97 . . . . 74.209999999999994 108.38 175.441 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.521 ' HB3' HD11 ' A' ' 23' ' ' ILE . 13.6 mt -100.54 142.19 32.35 Favored 'General case' 0 C--O 1.241 0.609 0 C-N-CA 125.316 1.446 . . . . 70.439999999999998 107.738 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 11.5 ptpt -119.88 149.97 41.23 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 110.224 -0.287 . . . . 53.409999999999997 110.224 173.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -82.86 -25.21 50.47 Favored Glycine 0 C--N 1.349 1.269 0 N-CA-C 111.753 -0.539 . . . . 75.209999999999994 111.753 -179.609 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.8 t -161.24 179.76 8.09 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 123.99 0.916 . . . . 61.409999999999997 109.79 178.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LEU . . . . . 0.698 HD11 ' HG2' ' A' ' 58' ' ' GLN . 12.4 mt -124.88 -174.17 2.97 Favored 'General case' 0 N--CA 1.481 1.076 0 C-N-CA 125.061 1.345 . . . . 74.540000000000006 109.61 -179.772 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -65.3 -42.43 93.08 Favored 'General case' 0 N--CA 1.49 1.544 0 N-CA-C 108.002 -1.11 . . . . 71.409999999999997 108.002 167.705 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 11.5 p80 -160.68 143.86 13.27 Favored 'General case' 0 C--O 1.245 0.859 0 CA-C-N 112.923 -1.944 . . . . 73.109999999999999 106.282 172.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -62.56 107.34 0.92 Allowed 'General case' 0 N--CA 1.48 1.035 0 N-CA-C 109.505 -0.554 . . . . 75.540000000000006 109.505 -177.326 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 25.3 t-80 -68.16 79.2 0.24 Allowed 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 125.043 1.337 . . . . 64.219999999999999 111.608 -168.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' HIS . . . . . . . . . . . . . 7.3 p-80 170.31 0.78 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.687 0 C-N-CA 126.95 2.1 . . . . 63.399999999999999 110.803 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' HIS . . . . . . . . . . . . . 39.0 t-80 -83.43 74.33 10.09 Favored 'General case' 0 CA--C 1.553 1.071 0 C-N-CA 123.989 0.915 . . . . 73.040000000000006 110.837 -175.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.483 1.19 0 N-CA-C 106.743 -1.577 . . . . 65.049999999999997 106.743 173.56 . . . . . . . . 1 1 . 1 stop_ save_