data_2mra_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 2mra _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.242 0.661 0 N-CA-C 109.475 -0.565 . . . . 72.430000000000007 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 72.510000000000005 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.299999999999997 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 74.430000000000007 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 75.400000000000006 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 73.120000000000005 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 74.510000000000005 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.519999999999996 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.209999999999994 108.319 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 73.510000000000005 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.239999999999995 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 74.420000000000002 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.510000000000005 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.519999999999996 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.540000000000006 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 74.519999999999996 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.430000000000007 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 61.420000000000002 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 73.140000000000001 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.340000000000003 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.120000000000005 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 73.010000000000005 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 74.299999999999997 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 75.230000000000004 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 74.409999999999997 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 73.140000000000001 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HD3' HD11 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 74.319999999999993 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 75.430000000000007 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.109999999999999 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.540000000000006 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 73.310000000000002 112.194 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.030000000000001 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 73.310000000000002 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.319999999999993 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.450000000000003 110.163 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.51 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.43 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.239999999999995 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 75.439999999999998 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.340000000000003 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.319999999999993 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.109999999999999 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 75.439999999999998 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.430000000000007 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.530000000000001 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.150000000000006 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 70.030000000000001 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 75.140000000000001 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.420000000000002 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 64.030000000000001 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 64.530000000000001 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 74.120000000000005 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.430000000000007 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 63.200000000000003 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.400000000000006 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.349999999999994 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.530000000000001 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 72.219999999999999 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 74.409999999999997 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 74.129999999999995 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.150000000000006 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.109999999999999 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 72.530000000000001 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.530000000000001 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 74.25 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 64.310000000000002 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.540000000000006 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 74.340000000000003 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 61.350000000000001 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 74.219999999999999 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.461 HG21 HD13 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.430000000000007 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.100000000000001 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.340000000000003 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HB2' HD23 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 65.510000000000005 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 74.549999999999997 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 71.129999999999995 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.329999999999998 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 71.209999999999994 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.120000000000005 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.329999999999998 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.409999999999997 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.219999999999999 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 75.349999999999994 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.439999999999998 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.219999999999999 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.340000000000003 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.399999999999999 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.049999999999997 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.349999999999994 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.039999999999999 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 74.209999999999994 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.009999999999998 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 74.340000000000003 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 74.420000000000002 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.792 ' HB3' HD21 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 74.430000000000007 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 74.120000000000005 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.109999999999999 110.048 -171.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.828 -0.434 . . . . 74.230000000000004 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.400000000000006 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 75.129999999999995 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 71.519999999999996 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.540000000000006 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 74.209999999999994 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.420000000000002 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 71.530000000000001 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.049999999999997 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 75.319999999999993 110.102 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.310000000000002 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 75.420000000000002 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.535 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.219999999999999 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 74.310000000000002 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 73.450000000000003 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 72.040000000000006 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.510000000000005 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.400000000000006 110.584 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.329999999999998 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.409999999999997 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 73.319999999999993 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 75.230000000000004 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 73.349999999999994 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.530000000000001 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 75.120000000000005 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 74.099999999999994 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.150000000000006 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 64.230000000000004 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 73.129999999999995 110.352 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.049999999999997 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.664 ' HG3' ' HZ3' ' A' ' 43' ' ' LYS . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.129999999999995 111.197 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HZ3' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 74.430000000000007 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.329999999999998 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 64.219999999999999 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.140000000000001 111.013 174.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.120000000000005 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.526 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.020000000000003 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 74.400000000000006 111.191 177.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.310000000000002 111.141 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 75.209999999999994 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 74.420000000000002 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.552 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.019999999999996 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.310000000000002 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.430000000000007 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.430000000000007 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.040000000000006 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 74.0 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.420000000000002 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 74.549999999999997 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.329999999999998 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 73.140000000000001 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 74.530000000000001 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.340000000000003 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.040000000000006 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 73.120000000000005 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.420000000000002 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 74.329999999999998 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 63.43 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.230000000000004 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 74.510000000000005 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 75.400000000000006 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 63.340000000000003 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 65.010000000000005 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.239999999999995 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.109999999999999 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 54.030000000000001 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.200000000000003 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 73.209999999999994 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 74.349999999999994 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.409999999999997 111.501 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 75.129999999999995 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 74.040000000000006 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.099999999999994 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.530000000000001 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 73.200000000000003 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.623 ' HB3' HD22 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 72.329999999999998 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 62.030000000000001 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.409999999999997 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.010000000000005 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 72.540000000000006 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 71.409999999999997 111.495 -175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 75.019999999999996 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.487 HG22 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 73.140000000000001 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' THR . . . . . 0.412 HG23 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.150000000000006 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.149999999999999 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.310000000000002 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.099999999999994 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.409999999999997 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HE1' HG23 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 75.420000000000002 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 62.509999999999998 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.439999999999998 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.329999999999998 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 74.510000000000005 107.741 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.019999999999996 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.552 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 74.209999999999994 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.400000000000006 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 74.109999999999999 109.25 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . 0.481 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 36.2 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 121.543 0.687 . . . . 65.140000000000001 111.909 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.420000000000002 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.481 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 74.109999999999999 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG22 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 73.219999999999999 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.219999999999999 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.019999999999996 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.340000000000003 109.021 -173.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 74.099999999999994 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.400000000000006 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p . . . . . 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 62.310000000000002 109.891 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.505 ' H ' ' HE3' ' A' ' 11' ' ' LYS . 63.5 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.329999999999998 106.97 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.450000000000003 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.510000000000005 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 61.109999999999999 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.686 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.140000000000001 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.209999999999994 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 74.430000000000007 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 74.120000000000005 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 75.299999999999997 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.329999999999998 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 71.310000000000002 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.310000000000002 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 74.439999999999998 111.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.409999999999997 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 73.230000000000004 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 73.010000000000005 110.624 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 71.040000000000006 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.420000000000002 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 71.030000000000001 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 54.210000000000001 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.130000000000003 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 73.310000000000002 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.230000000000004 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 75.340000000000003 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.530000000000001 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.530000000000001 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.329999999999998 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 75.140000000000001 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.589 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 64.409999999999997 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.589 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 24.9 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.200000000000003 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 72.439999999999998 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 74.239999999999995 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.540000000000006 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 74.420000000000002 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.310000000000002 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 75.209999999999994 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.409999999999997 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.530000000000001 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.129999999999995 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 75.129999999999995 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 73.140000000000001 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.140000000000001 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 74.129999999999995 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 72.319999999999993 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.040000000000006 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 71.310000000000002 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 72.25 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 73.430000000000007 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.239999999999995 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 74.120000000000005 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.439999999999998 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 74.329999999999998 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 63.009999999999998 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 75.409999999999997 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.150000000000006 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 75.019999999999996 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.439999999999998 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.329999999999998 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 73.420000000000002 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 73.109999999999999 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 75.310000000000002 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.519999999999996 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.049999999999997 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 72.319999999999993 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.349999999999994 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.230000000000004 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.520000000000003 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 65.239999999999995 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 74.310000000000002 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 75.310000000000002 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.562 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 75.530000000000001 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 75.510000000000005 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.714 HG21 HG21 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 74.329999999999998 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 74.310000000000002 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 74.510000000000005 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.74 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 75.010000000000005 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.200000000000003 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 74.400000000000006 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 73.010000000000005 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 64.230000000000004 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.714 HG21 HG21 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.540000000000006 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.404 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 62.329999999999998 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 73.409999999999997 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 75.310000000000002 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.219999999999999 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 73.310000000000002 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.482 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.120000000000005 110.321 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 73.439999999999998 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.409999999999997 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 64.0 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.744 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 74.25 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.349999999999994 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.474 HG13 HG13 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 73.409999999999997 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 72.409999999999997 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 72.129999999999995 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.310000000000002 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 64.319999999999993 112.127 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 ' HB ' ' HZ2' ' A' ' 47' ' ' LYS . 39.4 p . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 107.89 -1.152 . . . . 74.430000000000007 107.89 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 75.329999999999998 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.409999999999997 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 73.099999999999994 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.109999999999999 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 70.209999999999994 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.329999999999998 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 74.200000000000003 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.020000000000003 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.310000000000002 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 72.340000000000003 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.109999999999999 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 75.310000000000002 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 75.099999999999994 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.299999999999997 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.540000000000006 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 75.310000000000002 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.540000000000006 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.439999999999998 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.430000000000007 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 75.439999999999998 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 74.109999999999999 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.310000000000002 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.518 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.329999999999998 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.319999999999993 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 72.310000000000002 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 75.219999999999999 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 62.530000000000001 113.699 -168.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.518 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 71.109999999999999 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.140000000000001 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.120000000000005 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 75.120000000000005 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 63.219999999999999 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 73.099999999999994 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 74.040000000000006 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 63.149999999999999 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 73.030000000000001 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 74.439999999999998 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.129999999999995 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.319999999999993 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 75.430000000000007 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.109999999999999 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.450000000000003 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 73.340000000000003 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 74.319999999999993 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.349999999999994 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 71.420000000000002 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.519999999999996 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 74.319999999999993 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 75.239999999999995 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.53 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 74.439999999999998 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.319999999999993 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.540000000000006 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' TRP . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.329999999999998 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.549999999999997 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 75.299999999999997 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 71.400000000000006 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 74.420000000000002 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.229999999999997 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 75.239999999999995 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.430000000000007 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.209999999999994 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.140000000000001 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB2' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 74.129999999999995 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.340000000000003 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.150000000000006 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.109999999999999 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.540000000000006 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 73.120000000000005 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 74.310000000000002 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 75.409999999999997 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 72.310000000000002 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.450000000000003 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 73.019999999999996 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.464 ' HE2' ' HB1' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 73.409999999999997 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.595 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 72.540000000000006 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.099999999999994 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 72.25 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.150000000000006 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.049999999999997 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 74.230000000000004 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 73.120000000000005 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.540000000000006 109.1 176.193 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.539 0.209 . . . . 70.219999999999999 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 74.299999999999997 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 74.549999999999997 109.594 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 25' ' ' LEU . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 72.329999999999998 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 73.239999999999995 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 73.519999999999996 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.219999999999999 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.349999999999994 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.430000000000007 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.400000000000006 109.355 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.420000000000002 108.585 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 74.310000000000002 109.327 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 73.219999999999999 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.340000000000003 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.79 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 74.329999999999998 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.409999999999997 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.540000000000006 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.450000000000003 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 75.409999999999997 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.448 ' HB2' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.310000000000002 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.430000000000007 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 72.109999999999999 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 72.400000000000006 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.439999999999998 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.420000000000002 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 70.5 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.219999999999999 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.340000000000003 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.310000000000002 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.527 HG22 HD12 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 73.340000000000003 112.042 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.319999999999993 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 75.25 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 72.140000000000001 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 63.450000000000003 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.230000000000004 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 74.140000000000001 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 74.310000000000002 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 74.400000000000006 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 73.010000000000005 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.030000000000001 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 73.200000000000003 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.329999999999998 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.675 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.329999999999998 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 74.530000000000001 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 73.049999999999997 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 73.209999999999994 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.109999999999999 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.439999999999998 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.030000000000001 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.010000000000005 109.71 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.099999999999994 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 75.319999999999993 109.843 -166.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 74.010000000000005 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 75.549999999999997 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 73.540000000000006 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.140000000000001 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 73.010000000000005 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 73.510000000000005 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' HD12 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.420000000000002 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 73.439999999999998 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.430000000000007 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.400000000000006 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.349999999999994 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.400000000000006 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.540000000000006 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.319999999999993 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.140000000000001 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 75.409999999999997 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 72.109999999999999 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.140000000000001 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 75.019999999999996 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 74.400000000000006 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.439999999999998 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 71.239999999999995 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.219999999999999 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HB3' HD23 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 72.239999999999995 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.210000000000001 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.219999999999999 112.61 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.310000000000002 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.439999999999998 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB3' HG12 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 74.129999999999995 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.540000000000006 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 64.120000000000005 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.040000000000006 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.219999999999999 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.329999999999998 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.120000000000005 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 74.439999999999998 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 75.340000000000003 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 74.299999999999997 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.109999999999999 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.540000000000006 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 73.140000000000001 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.120000000000005 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.400000000000006 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 75.019999999999996 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.319999999999993 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 72.439999999999998 107.602 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.972 0.415 . . . . 75.25 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 72.450000000000003 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.310000000000002 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.439999999999998 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.329999999999998 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.340000000000003 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.42 ' HE3' ' OG1' ' A' ' 22' ' ' THR . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 74.219999999999999 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.140000000000001 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.439999999999998 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 72.010000000000005 108.682 -178.722 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.045 -0.354 . . . . 73.030000000000001 110.045 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.42 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.530000000000001 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.691 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.120000000000005 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.409999999999997 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.635 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 75.409999999999997 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.049999999999997 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.540000000000006 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.519999999999996 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 75.420000000000002 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 72.319999999999993 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 72.200000000000003 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 72.209999999999994 111.508 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.420000000000002 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.209999999999994 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.219999999999999 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 74.420000000000002 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 61.140000000000001 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.430000000000007 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 73.510000000000005 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 71.349999999999994 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 63.43 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 74.140000000000001 111.744 -173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 72.340000000000003 109.51 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 64.219999999999999 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.420000000000002 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 75.109999999999999 110.571 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.140000000000001 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.209999999999994 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 74.329999999999998 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 24.32 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 75.030000000000001 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.329999999999998 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.426 ' NH2' ' HZ2' ' A' ' 57' ' ' LYS . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.540000000000006 109.7 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 73.049999999999997 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HZ2' ' NH2' ' A' ' 55' ' ' ARG . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 73.340000000000003 109.379 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.400000000000006 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.129999999999995 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.553 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.25 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.540000000000006 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.340000000000003 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.319999999999993 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 75.109999999999999 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 74.340000000000003 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.299999999999997 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.319999999999993 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.219999999999999 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 75.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.150000000000006 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.150000000000006 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.430000000000007 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.540000000000006 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 72.439999999999998 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.450000000000003 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.534 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 74.420000000000002 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.129999999999995 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.430000000000007 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 75.310000000000002 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.404 HG21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.319999999999993 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 74.219999999999999 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 74.140000000000001 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 74.430000000000007 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 74.099999999999994 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 75.120000000000005 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.349999999999994 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.349999999999994 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 73.25 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 64.150000000000006 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 54.149999999999999 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 74.25 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 75.450000000000003 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 74.299999999999997 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 74.319999999999993 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 72.109999999999999 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.140000000000001 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.319999999999993 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.530000000000001 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.119999999999997 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 70.349999999999994 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.310000000000002 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.340000000000003 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.140000000000001 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 71.230000000000004 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.340000000000003 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.409999999999997 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 75.200000000000003 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 75.319999999999993 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 74.299999999999997 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp . . . . . 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.299999999999997 107.712 172.024 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.575 0.226 . . . . 75.200000000000003 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HD22 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.540000000000006 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.040000000000006 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 71.530000000000001 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 70.450000000000003 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 72.329999999999998 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.420000000000002 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.439999999999998 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.409999999999997 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.239999999999995 112.218 -178.151 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 73.099999999999994 108.065 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 74.409999999999997 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 75.439999999999998 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 63.210000000000001 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 74.439999999999998 108.011 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 72.150000000000006 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 72.420000000000002 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 62.009999999999998 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 75.420000000000002 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.340000000000003 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.319999999999993 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.129999999999995 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.450000000000003 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 75.319999999999993 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.340000000000003 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 74.439999999999998 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.409999999999997 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 75.430000000000007 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 72.030000000000001 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 71.120000000000005 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.439999999999998 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 74.109999999999999 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 71.430000000000007 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 64.420000000000002 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 75.209999999999994 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 73.040000000000006 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.5 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 73.340000000000003 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 73.5 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.120000000000005 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 110.1 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.519999999999996 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.129999999999995 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 75.019999999999996 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.109999999999999 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 73.0 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.510000000000005 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.722 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 73.040000000000006 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 74.430000000000007 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.239999999999995 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.219999999999999 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 74.549999999999997 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 74.329999999999998 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.140000000000001 113.14 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.645 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.420000000000002 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 61.229999999999997 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 73.439999999999998 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 72.409999999999997 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 62.299999999999997 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 73.120000000000005 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.510000000000005 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 72.409999999999997 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 73.329999999999998 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 75.340000000000003 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.140000000000001 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 75.319999999999993 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.531 ' HB2' HG22 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.430000000000007 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 74.109999999999999 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 73.340000000000003 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.420000000000002 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 55.219999999999999 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.120000000000005 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.340000000000003 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 80' ' ' VAL . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 74.230000000000004 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . 0.48 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.409999999999997 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.439999999999998 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 75.209999999999994 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 71.25 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 75.099999999999994 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 74.340000000000003 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 73.140000000000001 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 70.400000000000006 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.540000000000006 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.010000000000005 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.439999999999998 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 72.010000000000005 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.510000000000005 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.200000000000003 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 72.25 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.340000000000003 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.210000000000001 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.299999999999997 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.722 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.409999999999997 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 75.5 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.409999999999997 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.299999999999997 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 75.030000000000001 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.329999999999998 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.2 mp . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 74.239999999999995 109.411 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.209999999999994 108.58 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 74.439999999999998 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.109999999999999 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 71.319999999999993 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.040000000000006 108.392 -167.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 65.219999999999999 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.519999999999996 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HB3' ' HG ' ' A' ' 53' ' ' CYS . 23.9 p . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.340000000000003 110.635 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.132 0.419 . . . . 72.0 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.430000000000007 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 74.209999999999994 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 75.140000000000001 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HG ' HG22 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.519999999999996 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.42 ' H ' HG21 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.439999999999998 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.452 ' HZ ' ' HB2' ' A' ' 72' ' ' LYS . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.430000000000007 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.510000000000005 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.549999999999997 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 61.210000000000001 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.109999999999999 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.530000000000001 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.140000000000001 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 75.450000000000003 110.607 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.010000000000005 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 75.019999999999996 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 73.230000000000004 110.941 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 75.209999999999994 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 75.340000000000003 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 72.519999999999996 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.229999999999997 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.310000000000002 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 74.340000000000003 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.349999999999994 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 55.240000000000002 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.420000000000002 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.420000000000002 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.421 HG23 ' HG ' ' A' ' 88' ' ' LEU . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 73.439999999999998 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.109999999999999 109.752 175.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 74.150000000000006 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.340000000000003 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.150000000000006 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.544 ' HG ' ' HB3' ' A' ' 14' ' ' CYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.439999999999998 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB2' ' HZ2' ' A' ' 54' ' ' LYS . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.409999999999997 113.566 175.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 73.549999999999997 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 74.209999999999994 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 74.430000000000007 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 73.299999999999997 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' HD1' HG13 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.409999999999997 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 73.319999999999993 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 74.409999999999997 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 74.439999999999998 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.219999999999999 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 72.519999999999996 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.329999999999998 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.349999999999994 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.319999999999993 110.961 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.495 ' HB2' HD11 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.519999999999996 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.439999999999998 110.893 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.120000000000005 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 74.340000000000003 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 73.310000000000002 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.400000000000006 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.450000000000003 111.18 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.340000000000003 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 75.409999999999997 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 71.230000000000004 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.109999999999999 109.078 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.209999999999994 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 75.450000000000003 110.96 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.519999999999996 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 70.200000000000003 110.427 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.310000000000002 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HB3' HD21 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 73.209999999999994 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 71.510000000000005 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 40.340000000000003 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 74.0 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 73.019999999999996 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 75.5 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.230000000000004 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 75.439999999999998 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.120000000000005 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 74.010000000000005 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 72.150000000000006 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 71.140000000000001 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.209999999999994 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.450000000000003 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 71.329999999999998 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.519999999999996 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 74.540000000000006 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 73.430000000000007 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 65.099999999999994 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 70.519999999999996 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 75.310000000000002 110.058 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.420000000000002 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 75.109999999999999 110.398 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 120.898 0.38 . . . . 74.310000000000002 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.439999999999998 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 75.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.340000000000003 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 70.25 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HG21 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.120000000000005 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 75.129999999999995 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.010000000000005 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.450000000000003 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 49.0 t . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.450000000000003 110.454 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 72.150000000000006 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.140000000000001 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.409999999999997 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 73.420000000000002 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.564 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.299999999999997 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.439999999999998 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.010000000000005 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 52.310000000000002 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.577 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.400000000000006 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 63.409999999999997 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.019999999999996 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 54.240000000000002 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 74.540000000000006 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.140000000000001 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.219999999999999 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.140000000000001 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 74.019999999999996 110.476 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 75.049999999999997 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.549999999999997 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 71.329999999999998 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.239999999999995 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 74.140000000000001 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 73.150000000000006 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 75.329999999999998 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.736 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.430000000000007 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 75.420000000000002 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG22 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.420000000000002 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.736 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.450000000000003 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 74.140000000000001 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.340000000000003 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.503 ' HA2' HG22 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 63.210000000000001 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.409999999999997 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.430000000000007 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 74.120000000000005 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.741 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.140000000000001 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 73.409999999999997 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 77' ' ' ALA . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 74.519999999999996 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.519999999999996 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 62.109999999999999 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 74.430000000000007 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 75.340000000000003 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.219999999999999 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.129999999999995 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 72.230000000000004 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.019999999999996 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.219999999999999 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.030000000000001 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.140000000000001 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.510000000000005 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 74.299999999999997 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.329999999999998 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 61.5 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 74.349999999999994 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.402 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.140000000000001 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.109999999999999 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.219999999999999 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.430000000000007 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.310000000000002 109.677 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 71.420000000000002 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 74.230000000000004 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.239999999999995 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.239999999999995 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.239999999999995 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.409999999999997 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.329999999999998 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 74.099999999999994 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.209999999999994 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 73.430000000000007 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 74.310000000000002 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.239999999999995 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.549999999999997 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 74.219999999999999 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 72.319999999999993 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.401 ' HG1' ' HG3' ' A' ' 103' ' ' GLU . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.519999999999996 108.186 168.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 73.019999999999996 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.140000000000001 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 64.420000000000002 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 75.439999999999998 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.030000000000001 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 75.209999999999994 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' ' HG1' ' A' ' 96' ' ' THR . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 74.299999999999997 111.618 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 74.140000000000001 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.340000000000003 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.741 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 72.340000000000003 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 70.209999999999994 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 72.010000000000005 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 73.109999999999999 109.187 175.658 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 75.109999999999999 108.624 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.349999999999994 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.534 HG23 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 71.299999999999997 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 74.209999999999994 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.109999999999999 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 74.109999999999999 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.708 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 74.239999999999995 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.120000000000005 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 70.109999999999999 110.76 -175.786 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.259 -0.645 . . . . 63.310000000000002 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 64.209999999999994 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.109999999999999 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 73.439999999999998 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.040000000000006 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.519999999999996 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.549999999999997 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.420000000000002 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.310000000000002 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.349999999999994 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.150000000000006 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.340000000000003 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.109999999999999 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 64.430000000000007 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.450000000000003 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 75.120000000000005 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.439999999999998 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.209999999999994 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 74.310000000000002 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 HG22 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 73.349999999999994 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.400000000000006 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.510000000000005 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.200000000000003 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.310000000000002 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 71.030000000000001 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.409999999999997 111.022 170.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 75.209999999999994 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.78 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 74.120000000000005 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.329999999999998 111.681 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.420000000000002 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.109999999999999 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 74.409999999999997 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HB3' ' HZ3' ' A' ' 54' ' ' LYS . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 73.340000000000003 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.430000000000007 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 74.409999999999997 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 70.5 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.420000000000002 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.329999999999998 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.534 ' HD1' HG23 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.549999999999997 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 75.409999999999997 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.200000000000003 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 55.340000000000003 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.150000000000006 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 75.129999999999995 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.200000000000003 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.239999999999995 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 72.329999999999998 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.219999999999999 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 75.129999999999995 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB2' ' HZ2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.299999999999997 111.084 176.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.519999999999996 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.200000000000003 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.496 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.430000000000007 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.409999999999997 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 74.209999999999994 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.409999999999997 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 74.010000000000005 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 72.340000000000003 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.340000000000003 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.648 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.230000000000004 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.602 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 74.510000000000005 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.109999999999999 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.469 ' HB2' HD23 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.329999999999998 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 75.140000000000001 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.130000000000003 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 110' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 75.25 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 73.420000000000002 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HG3' ' H ' ' A' ' 93' ' ' SER . 11.3 tp60 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.439999999999998 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.040000000000006 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.430000000000007 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.415 HG21 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.439999999999998 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 75.319999999999993 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.040000000000006 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 61.109999999999999 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 75.25 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 73.230000000000004 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.420000000000002 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.120000000000005 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 HG21 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 75.329999999999998 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 65.219999999999999 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.409999999999997 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 73.129999999999995 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.603 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.439999999999998 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 71.439999999999998 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.409999999999997 107.039 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--O 1.243 0.751 0 CA-C-O 120.803 0.335 . . . . 75.409999999999997 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 70.519999999999996 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.230000000000004 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 72.219999999999999 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 65.109999999999999 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 73.099999999999994 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.319999999999993 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 72.530000000000001 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.409999999999997 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t . . . . . 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.319999999999993 109.589 -169.433 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 74.230000000000004 109.491 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.310000000000002 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.599 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 74.400000000000006 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 65.040000000000006 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG23 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.209999999999994 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.310000000000002 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.438 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 74.299999999999997 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.329999999999998 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 75.319999999999993 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.129999999999995 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 73.219999999999999 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.120000000000005 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.049999999999997 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 74.519999999999996 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.340000000000003 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 75.129999999999995 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 75.319999999999993 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.420000000000002 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD2' HD12 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.439999999999998 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.439999999999998 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.430000000000007 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.400000000000006 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 75.129999999999995 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 74.420000000000002 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.299999999999997 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.717 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 75.230000000000004 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 74.5 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 74.519999999999996 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HZ1' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.349999999999994 111.764 -173.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 72.430000000000007 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.409999999999997 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.717 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.329999999999998 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' ' HZ3' ' A' ' 54' ' ' LYS . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.420000000000002 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 73.409999999999997 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.319999999999993 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.230000000000004 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.409999999999997 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.468 ' HB3' ' HZ1' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 74.530000000000001 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 75.430000000000007 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 72.25 111.679 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 74.420000000000002 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 75.310000000000002 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.319999999999993 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.150000000000006 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.209999999999994 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.400000000000006 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.683 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 74.010000000000005 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 74.310000000000002 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.567 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 75.340000000000003 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 63.409999999999997 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 73.5 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 73.299999999999997 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.408 ' O ' HG22 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 75.319999999999993 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.299999999999997 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.200000000000003 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 72.040000000000006 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 73.230000000000004 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 61.32 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.040000000000006 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.430000000000007 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 72.409999999999997 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 72.140000000000001 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 75.409999999999997 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.449 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.519999999999996 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 74.450000000000003 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.109999999999999 109.993 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.310000000000002 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 93' ' ' SER . 2.3 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 74.140000000000001 111.172 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 92' ' ' GLN . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 72.239999999999995 112.514 -164.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.439999999999998 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 73.099999999999994 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 72.109999999999999 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 70.510000000000005 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.310000000000002 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 73.010000000000005 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 75.409999999999997 109.408 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 63.32 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 75.349999999999994 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 74.239999999999995 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.230000000000004 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.450000000000003 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.462 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 75.409999999999997 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 75.239999999999995 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.44 HD11 HG23 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 74.439999999999998 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.340000000000003 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? . . . . . 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.349999999999994 108.259 171.17 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 112.001 0.371 . . . . 75.329999999999998 112.001 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 72.010000000000005 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 75.430000000000007 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.450000000000003 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.519999999999996 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 71.019999999999996 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.349999999999994 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.120000000000005 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.120000000000005 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 73.349999999999994 109.907 175.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.209999999999994 107.567 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.299999999999997 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.239999999999995 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.209999999999994 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 73.439999999999998 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.319999999999993 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.439999999999998 109.674 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 74.450000000000003 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.310000000000002 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.040000000000006 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 74.310000000000002 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.549999999999997 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 73.319999999999993 111.451 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.030000000000001 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.645 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 75.120000000000005 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 75.439999999999998 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HB2' ' HZ2' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.540000000000006 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 73.530000000000001 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 71.010000000000005 110.684 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 70.510000000000005 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 74.439999999999998 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.129999999999995 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 74.430000000000007 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.120000000000005 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 73.099999999999994 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.340000000000003 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.420000000000002 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.329999999999998 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.219999999999999 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 54.009999999999998 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 72.409999999999997 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 75.420000000000002 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.140000000000001 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.230000000000004 106.512 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 72.510000000000005 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.030000000000001 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.439999999999998 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.329999999999998 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 73.329999999999998 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 74.540000000000006 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 100' ' ' ASP . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 73.5 112.476 168.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 72.340000000000003 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.340000000000003 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 73.349999999999994 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 61.409999999999997 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 74.25 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.484 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 73.120000000000005 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.329999999999998 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 75.329999999999998 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.039999999999999 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.530000000000001 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 75.319999999999993 109.737 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.608 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.409999999999997 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.019999999999996 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 72.040000000000006 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.230000000000004 111.521 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 73.109999999999999 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.120000000000005 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.109999999999999 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 72.040000000000006 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.209999999999994 108.688 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.420000000000002 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.510000000000005 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 75.109999999999999 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 HD13 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 64.150000000000006 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.109999999999999 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 110' ' ' LEU . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 61.130000000000003 112.538 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.340000000000003 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.129999999999995 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.140000000000001 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' THR . . . . . 0.454 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 73.230000000000004 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.329999999999998 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.420000000000002 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.329999999999998 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 74.409999999999997 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.009999999999998 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 72.150000000000006 112.207 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.239999999999995 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 75.329999999999998 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.439999999999998 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 73.140000000000001 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.540000000000006 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 71.230000000000004 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 73.439999999999998 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.420000000000002 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 64.140000000000001 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 90' ' ' ALA . 5.0 mp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 74.420000000000002 108.681 177.501 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 CA--C 1.559 1.324 0 N-CA-C 112.561 0.578 . . . . 74.030000000000001 112.561 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.349999999999994 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.450000000000003 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.150000000000006 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.340000000000003 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.239999999999995 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.329999999999998 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 72.299999999999997 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.019999999999996 108.953 -179.328 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 120.971 0.415 . . . . 64.230000000000004 110.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 74.430000000000007 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.230000000000004 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.299999999999997 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.209999999999994 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 64.430000000000007 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.120000000000005 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.349999999999994 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.439999999999998 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.230000000000004 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 72.219999999999999 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.129999999999995 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 73.340000000000003 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 74.450000000000003 111.533 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.010000000000005 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.409999999999997 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 75.450000000000003 110.999 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.120000000000005 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 74.25 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 75.310000000000002 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.010000000000005 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 64.150000000000006 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 73.209999999999994 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 63.409999999999997 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 71.150000000000006 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 74.150000000000006 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 74.530000000000001 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.678 HD13 ' HA ' ' A' ' 45' ' ' ALA . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.450000000000003 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 74.140000000000001 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 75.200000000000003 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 75.140000000000001 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 75.219999999999999 108.397 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.530000000000001 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.409999999999997 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 74.540000000000006 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 75.109999999999999 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.510000000000005 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 73.049999999999997 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.437 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.540000000000006 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 71.120000000000005 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 74.540000000000006 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.329999999999998 108.939 176.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.430000000000007 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 74.120000000000005 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 73.439999999999998 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 74.019999999999996 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 53.299999999999997 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.549999999999997 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 75.25 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 74.209999999999994 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 75.310000000000002 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 71.040000000000006 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 70.310000000000002 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' HD11 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 75.310000000000002 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.310000000000002 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.439999999999998 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.439999999999998 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 74.430000000000007 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.129999999999995 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.120000000000005 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 74.209999999999994 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.219999999999999 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.329999999999998 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.310000000000002 111.817 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.399999999999999 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 74.340000000000003 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.430000000000007 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.120000000000005 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 74.040000000000006 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.040000000000006 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.453 ' HB3' HG12 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 71.200000000000003 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.319999999999993 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.409 HG22 HG11 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.099999999999994 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 74.329999999999998 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 74.230000000000004 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.563 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.310000000000002 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.439999999999998 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.329999999999998 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 74.5 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.129999999999995 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.400000000000006 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 73.099999999999994 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.329999999999998 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.409999999999997 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 74.310000000000002 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.409999999999997 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 73.129999999999995 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 71.420000000000002 110.696 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.437 -0.579 . . . . 72.239999999999995 109.437 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 72.420000000000002 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.010000000000005 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.239999999999995 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.140000000000001 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.099999999999994 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.815 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 74.540000000000006 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.592 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.349999999999994 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.510000000000005 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.209999999999994 111.201 -167.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.592 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.319999999999993 108.158 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 73.439999999999998 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.450000000000003 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.010000000000005 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.645 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 74.200000000000003 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.420000000000002 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 75.430000000000007 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.109999999999999 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 73.450000000000003 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.420000000000002 109.575 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 75.329999999999998 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.349999999999994 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 75.239999999999995 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 75.530000000000001 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.310000000000002 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.049999999999997 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.340000000000003 110.026 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 72.540000000000006 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 73.420000000000002 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.120000000000005 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.240000000000002 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.430000000000007 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 70.129999999999995 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 72.310000000000002 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 62.229999999999997 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.019999999999996 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 70.010000000000005 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.329999999999998 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 75.219999999999999 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.219999999999999 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 75.400000000000006 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 73.439999999999998 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.636 ' HB2' HD12 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.150000000000006 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 74.329999999999998 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.230000000000004 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 72.540000000000006 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.815 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.129999999999995 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 73.209999999999994 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 73.340000000000003 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.310000000000002 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 75.409999999999997 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 62' ' ' LYS . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.109999999999999 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 74.420000000000002 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 75.349999999999994 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 73.340000000000003 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.229999999999997 105.544 -170.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.540000000000006 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.319999999999993 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 54.240000000000002 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 74.219999999999999 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.519999999999996 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HZ3' ' HB3' ' A' ' 30' ' ' ALA . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.420000000000002 111.471 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.140000000000001 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.340000000000003 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 74.400000000000006 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.350000000000001 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 63.539999999999999 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.010000000000005 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.439999999999998 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 75.439999999999998 111.276 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 73.530000000000001 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 63.409999999999997 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 72.450000000000003 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 75.299999999999997 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.349999999999994 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 61.25 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 72.319999999999993 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.510000000000005 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.140000000000001 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 61.219999999999999 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.140000000000001 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.010000000000005 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.229999999999997 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.210000000000001 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.5 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 74.200000000000003 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 64.239999999999995 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.209999999999994 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.530000000000001 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.239999999999995 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.420000000000002 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.400000000000006 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.200000000000003 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 61.200000000000003 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.349999999999994 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.409999999999997 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 75.019999999999996 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.513 ' HG ' HG13 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 71.310000000000002 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.526 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.009999999999998 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.299999999999997 108.821 172.555 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.975 0.417 . . . . 73.519999999999996 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 75.25 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.219999999999999 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.019999999999996 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.540000000000006 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 75.010000000000005 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.120000000000005 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 73.450000000000003 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.099999999999994 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.2 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.340000000000003 112.861 -172.392 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 74.049999999999997 108.271 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.340000000000003 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.120000000000005 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 54.25 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.319999999999993 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.310000000000002 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HB2' HD23 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 72.129999999999995 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.140000000000001 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.340000000000003 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.400000000000006 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 75.319999999999993 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 60.25 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' HD11 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 73.120000000000005 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 72.340000000000003 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 73.239999999999995 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 34' ' ' LYS . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.540000000000006 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.349999999999994 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.549999999999997 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 72.129999999999995 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.040000000000006 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 74.540000000000006 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 74.120000000000005 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.299999999999997 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.349999999999994 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.340000000000003 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 74.420000000000002 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.140000000000001 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.219999999999999 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.299999999999997 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.510000000000005 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.409999999999997 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.572 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 71.409999999999997 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 72.010000000000005 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.230000000000004 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 75.239999999999995 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 72.530000000000001 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.430000000000007 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . 0.632 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.340000000000003 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.200000000000003 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.230000000000004 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.329999999999998 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.430000000000007 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 74.420000000000002 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.230000000000004 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.340000000000003 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.420000000000002 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 60.109999999999999 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.329999999999998 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.299999999999997 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.129999999999995 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.549999999999997 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.120000000000005 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 75.329999999999998 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.438 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 73.239999999999995 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.340000000000003 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 74.120000000000005 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.140000000000001 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.509999999999998 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.340000000000003 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 74.510000000000005 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 70.230000000000004 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.120000000000005 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.319999999999993 112.002 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 72.019999999999996 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.409999999999997 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.540000000000006 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.040000000000006 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.200000000000003 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 74.329999999999998 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 73.319999999999993 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.553 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.439999999999998 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.430000000000007 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 74.450000000000003 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.120000000000005 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 74.019999999999996 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 72.349999999999994 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 73.239999999999995 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 75.120000000000005 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.439999999999998 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.439999999999998 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.450000000000003 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 70.540000000000006 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 73.019999999999996 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 61.530000000000001 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 74.209999999999994 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.530000000000001 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 72.430000000000007 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 mp . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.450000000000003 108.114 172.798 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.487 0.184 . . . . 71.200000000000003 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 75.349999999999994 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.150000000000006 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.702 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 64.530000000000001 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.439999999999998 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 72.230000000000004 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 73.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.69 HG23 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.420000000000002 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 61.130000000000003 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t . . . . . 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.240000000000002 109.55 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.819 0.342 . . . . 74.230000000000004 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 70.420000000000002 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HE2' HG23 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.420000000000002 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.430000000000007 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.702 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.099999999999994 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.420000000000002 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.310000000000002 110.343 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.140000000000001 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 75.099999999999994 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 74.120000000000005 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 74.420000000000002 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.049999999999997 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 64.299999999999997 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 74.430000000000007 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.540000000000006 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 63.229999999999997 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 74.409999999999997 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 74.329999999999998 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 75.030000000000001 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 74.549999999999997 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 73.400000000000006 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 72.239999999999995 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.5 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 75.510000000000005 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.519999999999996 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.299999999999997 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.69 ' HG2' HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 73.219999999999999 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.76 HG22 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 65.340000000000003 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.099999999999994 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.549999999999997 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.120000000000005 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 75.409999999999997 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.549999999999997 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 72.510000000000005 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 71.030000000000001 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.329999999999998 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.310000000000002 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.510000000000005 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 74.150000000000006 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 75.409999999999997 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.329999999999998 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.510000000000005 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.239999999999995 111.469 -179.186 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.349999999999994 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.340000000000003 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 74.519999999999996 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 65.400000000000006 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.319999999999993 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.109999999999999 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 71.299999999999997 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 74.140000000000001 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 75.299999999999997 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.120000000000005 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.219999999999999 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.329999999999998 111.175 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 73.310000000000002 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.409999999999997 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.329999999999998 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.420000000000002 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 74.109999999999999 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.349999999999994 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.430000000000007 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.530000000000001 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.119999999999997 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 73.329999999999998 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.329999999999998 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.76 ' HG ' HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.230000000000004 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.149999999999999 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.439999999999998 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.420000000000002 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.510000000000005 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.451 ' HB3' HG23 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.439999999999998 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.040000000000006 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.219999999999999 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.439999999999998 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.409999999999997 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.209999999999994 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 61.25 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 72.409999999999997 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.450000000000003 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.510000000000005 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.120000000000005 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.319999999999993 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.340000000000003 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.519999999999996 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.040000000000006 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 73.030000000000001 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 72.510000000000005 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 120.492 0.187 . . . . 73.5 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 75.040000000000006 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 72.420000000000002 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.510000000000005 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.549999999999997 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.200000000000003 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.310000000000002 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.040000000000006 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.530000000000001 109.394 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.039999999999999 109.691 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.099 -0.704 . . . . 71.430000000000007 109.099 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 73.099999999999994 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.329999999999998 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 63.450000000000003 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.129999999999995 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 73.450000000000003 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.627 ' HB2' HD23 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.530000000000001 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 74.049999999999997 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.439999999999998 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.409999999999997 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.450000000000003 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 53.310000000000002 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 75.319999999999993 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.450000000000003 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.41 ' HG ' HD12 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.200000000000003 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 74.409999999999997 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.230000000000004 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 74.209999999999994 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.219999999999999 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 62.020000000000003 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.019999999999996 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.340000000000003 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.209999999999994 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 70.109999999999999 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.109999999999999 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 71.450000000000003 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' ' 45' ' ' ALA . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.420000000000002 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 72.450000000000003 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.420000000000002 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 65.420000000000002 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA2' HG22 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.219999999999999 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.209999999999994 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 74.019999999999996 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.239999999999995 108.853 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.319999999999993 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.230000000000004 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.450000000000003 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 75.109999999999999 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.129999999999995 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' HG23 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.230000000000004 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 71.230000000000004 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 73.519999999999996 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.350000000000001 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.329999999999998 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.010000000000005 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.450000000000003 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.209999999999994 112.292 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.510000000000005 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 74.040000000000006 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.299999999999997 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 75.129999999999995 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.319999999999993 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 75.0 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 60.25 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.319999999999993 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 74.010000000000005 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 73.340000000000003 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 72.299999999999997 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.420000000000002 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.319999999999993 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 75.430000000000007 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 51.340000000000003 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.450000000000003 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.239999999999995 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.591 HD13 HD12 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.109999999999999 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.530000000000001 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.099999999999994 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.120000000000005 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.210000000000001 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 74.310000000000002 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.340000000000003 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 72.239999999999995 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 73.209999999999994 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 72.319999999999993 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 55.310000000000002 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.150000000000006 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.299999999999997 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.129999999999995 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.409999999999997 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 75.430000000000007 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.430000000000007 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 73.409999999999997 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 71.019999999999996 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 63.439999999999998 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.329999999999998 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 74.5 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 73.439999999999998 110.147 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.430000000000007 113.244 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.230000000000004 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 73.049999999999997 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.726 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 74.349999999999994 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 74.340000000000003 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 HD22 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.340000000000003 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 74.409999999999997 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.400000000000006 107.774 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.519999999999996 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 72.519999999999996 110.654 -171.098 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 74.340000000000003 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 75.519999999999996 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.439999999999998 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 73.239999999999995 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.726 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.420000000000002 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.310000000000002 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.129999999999995 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.340000000000003 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.540000000000006 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 74.439999999999998 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 60.109999999999999 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.219999999999999 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.439999999999998 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 75.439999999999998 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 71.219999999999999 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 65.310000000000002 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 75.420000000000002 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.340000000000003 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 73.200000000000003 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.400000000000006 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 72.329999999999998 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.030000000000001 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.219999999999999 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.520000000000003 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.430000000000007 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.150000000000006 111.667 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.040000000000006 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.140000000000001 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.239999999999995 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.209999999999994 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 64.329999999999998 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.417 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 74.219999999999999 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.430000000000007 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 65.349999999999994 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.409999999999997 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.409999999999997 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 74.230000000000004 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.230000000000004 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.428 ' CD1' HG23 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 73.200000000000003 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 70.409999999999997 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 74.540000000000006 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 71.230000000000004 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.129999999999995 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 73.530000000000001 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.230000000000004 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.549999999999997 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.109999999999999 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.340000000000003 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 74.439999999999998 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.329999999999998 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 74.219999999999999 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.530000000000001 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.129999999999995 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 72.209999999999994 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.439999999999998 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 75.340000000000003 111.072 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.329999999999998 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 73.230000000000004 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.530000000000001 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.230000000000004 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 74.109999999999999 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.140000000000001 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.319999999999993 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.430000000000007 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 74.299999999999997 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.310000000000002 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 70.430000000000007 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.219999999999999 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 74.439999999999998 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.426 HG22 HG21 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.420000000000002 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.439999999999998 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.400000000000006 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 74.120000000000005 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.019999999999996 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 73.530000000000001 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.510000000000005 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 HG22 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.409999999999997 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 72.209999999999994 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.219999999999999 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 70.439999999999998 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.109999999999999 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 71.010000000000005 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.785 0.326 . . . . 62.530000000000001 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.409999999999997 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.739 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.549999999999997 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.010000000000005 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.219999999999999 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.400000000000006 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 75.230000000000004 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.530000000000001 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.010000000000005 108.511 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' THR . . . . . 0.401 HG23 ' HB ' ' A' ' 12' ' ' ILE . 5.0 t . . . . . 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 74.310000000000002 109.609 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.299999999999997 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.439999999999998 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.409999999999997 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 74.310000000000002 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.310000000000002 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB1' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.510000000000005 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 73.409999999999997 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.040000000000006 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 73.299999999999997 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.439999999999998 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 71.439999999999998 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.230000000000004 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 74.540000000000006 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.400000000000006 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.140000000000001 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 74.109999999999999 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.209999999999994 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.430000000000007 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 71.319999999999993 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 72.109999999999999 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 72.219999999999999 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.439999999999998 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.209999999999994 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.230000000000004 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.310000000000002 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.430000000000007 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.120000000000005 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 63.539999999999999 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 74.439999999999998 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.420000000000002 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.461 ' HA2' HG21 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 61.229999999999997 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.450000000000003 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 75.140000000000001 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.219999999999999 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.349999999999994 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 74.519999999999996 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 75.510000000000005 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 75.129999999999995 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.486 ' HD1' HG13 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.430000000000007 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.329999999999998 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.433 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 73.319999999999993 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.219999999999999 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.399999999999999 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.510000000000005 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.420000000000002 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 75.019999999999996 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 75.030000000000001 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.200000000000003 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 72.099999999999994 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 73.430000000000007 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 74.209999999999994 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.530000000000001 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.040000000000006 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.409999999999997 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 74.239999999999995 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.219999999999999 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.329999999999998 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.409999999999997 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.349999999999994 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.140000000000001 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 74.150000000000006 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 74.420000000000002 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 74.430000000000007 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 74.120000000000005 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 72.549999999999997 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.450000000000003 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.239999999999995 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.530000000000001 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.120000000000005 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.219999999999999 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 75.510000000000005 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.120000000000005 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.140000000000001 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.439999999999998 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.439999999999998 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 73.450000000000003 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.239999999999995 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.340000000000003 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.655 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.120000000000005 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 74.540000000000006 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.409999999999997 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.040000000000006 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 74.329999999999998 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 74.120000000000005 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 74.239999999999995 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.209999999999994 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.434 HD11 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 74.329999999999998 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.230000000000004 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.400000000000006 110.403 -178.591 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 109.869 -0.419 . . . . 71.239999999999995 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 75.109999999999999 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.329999999999998 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.239999999999995 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 75.150000000000006 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 75.140000000000001 109.868 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.310000000000002 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.219999999999999 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 70.420000000000002 109.505 177.471 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 74.319999999999993 107.781 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.209999999999994 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 74.099999999999994 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 74.140000000000001 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.549999999999997 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 74.340000000000003 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HB3' HD13 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 71.299999999999997 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 65.439999999999998 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 64.209999999999994 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 75.299999999999997 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.239999999999995 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 61.119999999999997 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.010000000000005 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.510000000000005 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.150000000000006 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.109999999999999 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 73.25 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 74.340000000000003 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.519999999999996 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.129999999999995 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 71.430000000000007 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 74.209999999999994 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 65.239999999999995 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 64.319999999999993 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.209999999999994 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 73.439999999999998 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.329999999999998 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 75.230000000000004 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.319999999999993 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.230000000000004 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 74.349999999999994 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.120000000000005 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.299999999999997 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.450000000000003 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 72.340000000000003 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 64.450000000000003 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.340000000000003 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.099999999999994 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.109999999999999 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LYS . . . . . 0.658 ' HB3' ' HZ1' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.299999999999997 109.286 -177.201 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 71.400000000000006 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.556 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.450000000000003 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 71.409999999999997 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.129999999999995 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.140000000000001 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.420000000000002 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HB2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 75.099999999999994 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.239999999999995 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.230000000000004 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.420000000000002 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.140000000000001 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.530000000000001 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 73.430000000000007 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.409999999999997 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 74.409999999999997 110.592 175.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 74.340000000000003 111.866 -175.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 75.409999999999997 109.38 171.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.129999999999995 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.420000000000002 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.109999999999999 108.865 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.109999999999999 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.209999999999994 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.230000000000004 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.25 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 75.340000000000003 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.310000000000002 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.420000000000002 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.439999999999998 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 93' ' ' SER . 8.4 tp60 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 75.219999999999999 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 75.010000000000005 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.209999999999994 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.510000000000005 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.310000000000002 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.310000000000002 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 73.150000000000006 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.310000000000002 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 75.219999999999999 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 75.530000000000001 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' VAL . . . . . 0.468 HG22 HG21 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.140000000000001 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 73.010000000000005 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 75.420000000000002 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 74.430000000000007 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' HG23 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.319999999999993 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 74.219999999999999 108.92 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 mtt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.682 -0.859 . . . . 74.400000000000006 108.682 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.83 -36.76 0.11 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.115 0.413 . . . . 71.450000000000003 112.115 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.05 6.59 51.62 Favored Glycine 0 N--CA 1.475 1.264 0 CA-C-N 116.365 -0.379 . . . . 64.530000000000001 112.391 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -75.94 -36.17 59.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.756 1.223 . . . . 72.230000000000004 108.942 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.47 127.27 31.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.511 -1.222 . . . . 72.430000000000007 109.475 -172.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.597 HD13 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 72.510000000000005 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.299999999999997 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.617 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 74.430000000000007 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 75.400000000000006 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.646 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 73.120000000000005 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 74.510000000000005 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.519999999999996 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t -101.09 32.91 3.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 83.02 0.64 Allowed Glycine 0 C--N 1.353 1.509 0 N-CA-C 109.926 -1.27 . . . . 72.430000000000007 109.926 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -60.79 104.62 0.37 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.962 0.905 . . . . 74.310000000000002 110.908 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -120.27 -52.43 2.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.753 1.221 . . . . 55.43 110.251 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.23 -70.57 0.58 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.732 -0.667 . . . . 74.430000000000007 110.275 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -151.63 146.29 25.71 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.468 0.707 . . . . 64.209999999999994 109.768 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -59.72 128.46 37.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.798 0.839 . . . . 73.510000000000005 109.773 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -91.81 104.41 16.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.209999999999994 108.319 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 73.510000000000005 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.646 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.239999999999995 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 74.420000000000002 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.617 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.510000000000005 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.519999999999996 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.540000000000006 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 74.519999999999996 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.514 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.430000000000007 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 61.420000000000002 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 73.140000000000001 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.514 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.340000000000003 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.120000000000005 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 73.010000000000005 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.455 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 74.299999999999997 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.587 HD11 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 75.230000000000004 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 74.409999999999997 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 73.140000000000001 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.587 ' HD3' HD11 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 74.319999999999993 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 75.430000000000007 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.522 ' HB3' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.109999999999999 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.540000000000006 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 73.310000000000002 112.194 -172.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.459 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.030000000000001 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.408 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 73.310000000000002 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.319999999999993 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.450000000000003 110.163 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.51 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.43 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.239999999999995 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 75.439999999999998 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.340000000000003 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.319999999999993 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.51 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.109999999999999 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 75.439999999999998 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.430000000000007 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.511 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.530000000000001 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.423 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.150000000000006 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 70.030000000000001 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.412 ' CD1' HG21 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 75.140000000000001 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.420000000000002 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 64.030000000000001 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 64.530000000000001 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 74.120000000000005 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.516 ' HB3' HD22 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.430000000000007 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 63.200000000000003 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.400000000000006 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.349999999999994 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.597 ' HB1' HD13 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.530000000000001 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 72.219999999999999 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 74.409999999999997 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 74.129999999999995 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.150000000000006 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.109999999999999 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 72.530000000000001 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.530000000000001 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 74.25 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 64.310000000000002 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.540000000000006 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 74.340000000000003 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.433 ' HB3' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 61.350000000000001 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.522 ' HD2' ' HB3' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 74.219999999999999 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.461 HG21 HD13 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.430000000000007 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.100000000000001 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.340000000000003 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HB2' HD23 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 65.510000000000005 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.496 HD23 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 74.549999999999997 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 71.129999999999995 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.329999999999998 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 71.209999999999994 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.120000000000005 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.433 ' HB3' ' HB3' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.329999999999998 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.409999999999997 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.219999999999999 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 75.349999999999994 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.439999999999998 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.219999999999999 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.340000000000003 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.399999999999999 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.049999999999997 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.349999999999994 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.039999999999999 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.423 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 74.209999999999994 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' HB2' ' HG2' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.009999999999998 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.501 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 74.340000000000003 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 74.420000000000002 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.792 ' HB3' HD21 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 74.430000000000007 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 74.120000000000005 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.792 HD21 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? -134.57 93.04 2.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.109999999999999 110.048 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -95.78 -49.53 5.3 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.308 0.643 . . . . 74.129999999999995 109.399 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -59.38 104.02 0.23 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 114.733 -1.121 . . . . 73.010000000000005 111.736 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -140.74 155.31 46.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.999 0.92 . . . . 74.230000000000004 110.041 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.21 40.13 21.93 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.365 1.066 . . . . 74.430000000000007 113.026 169.74 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -67.25 100.22 0.78 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 120.944 0.402 . . . . 72.140000000000001 110.263 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -127.54 119.93 27.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.229 1.012 . . . . 71.239999999999995 108.787 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.556 1.203 0 N-CA-C 108.645 -0.872 . . . . 74.140000000000001 108.645 177.733 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.735 ' SD ' ' HB3' ' A' ' 28' ' ' SER . 28.7 ttt . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.388 -0.227 . . . . 74.439999999999998 110.388 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.96 -58.79 0.05 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.621 0.768 . . . . 75.109999999999999 109.215 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 121.5 0.48 Allowed Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.257 -0.883 . . . . 64.019999999999996 112.369 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 tttp 66.32 97.35 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.881 1.273 . . . . 75.420000000000002 112.193 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -164.16 -71.68 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.61 0.764 . . . . 74.230000000000004 109.828 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.400000000000006 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.509 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 75.129999999999995 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG23 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 71.519999999999996 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.540000000000006 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.535 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 74.209999999999994 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.420000000000002 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 71.530000000000001 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.049999999999997 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p -76.29 -31.15 58.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 75.319999999999993 110.102 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.68 126.39 0.98 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 109.859 -1.296 . . . . 64.109999999999999 109.859 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -65.13 87.56 0.07 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.638 0.775 . . . . 75.319999999999993 109.992 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -170.56 57.42 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.183 0.993 . . . . 71.329999999999998 108.46 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 71.15 -9.77 0.84 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.826 1.65 . . . . 74.530000000000001 113.709 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -102.2 18.8 19.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.343 0.657 . . . . 73.120000000000005 112.46 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.34 137.18 56.72 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.993 -0.743 . . . . 74.040000000000006 108.993 167.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -127.28 121.68 31.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.310000000000002 108.952 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 75.420000000000002 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.535 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.219999999999999 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 74.310000000000002 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.465 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 73.450000000000003 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.509 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 72.040000000000006 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.510000000000005 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.735 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.400000000000006 110.584 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 74.430000000000007 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.329999999999998 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.409999999999997 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 73.319999999999993 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 75.230000000000004 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 73.349999999999994 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.530000000000001 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 75.120000000000005 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 74.099999999999994 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.150000000000006 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 64.230000000000004 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 73.129999999999995 110.352 177.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.049999999999997 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.664 ' HG3' ' HZ3' ' A' ' 43' ' ' LYS . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.129999999999995 111.197 -175.469 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.664 ' HZ3' ' HG3' ' A' ' 42' ' ' GLU . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 74.430000000000007 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.329999999999998 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 64.219999999999999 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.140000000000001 111.013 174.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.569 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.120000000000005 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.526 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.020000000000003 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 74.400000000000006 111.191 177.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.310000000000002 111.141 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 75.209999999999994 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.526 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 74.420000000000002 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.552 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.019999999999996 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.477 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.310000000000002 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.430000000000007 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.430000000000007 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.040000000000006 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 74.0 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.420000000000002 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.429 ' CE1' HG23 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 74.549999999999997 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.329999999999998 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 73.140000000000001 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 74.530000000000001 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.340000000000003 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.040000000000006 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 73.120000000000005 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.420000000000002 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.447 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 74.329999999999998 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 63.43 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.230000000000004 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 74.510000000000005 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 75.400000000000006 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 63.340000000000003 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.421 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 65.010000000000005 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.239999999999995 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.477 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.109999999999999 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 54.030000000000001 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.421 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.200000000000003 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 73.209999999999994 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.438 HG21 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 74.349999999999994 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.409999999999997 111.501 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 75.129999999999995 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 74.040000000000006 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.099999999999994 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.530000000000001 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 73.200000000000003 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.623 ' HB3' HD22 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 72.329999999999998 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 62.030000000000001 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.409999999999997 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.541 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.010000000000005 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 72.540000000000006 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 71.409999999999997 111.495 -175.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 75.019999999999996 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.487 HG22 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 73.140000000000001 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' THR . . . . . 0.412 HG23 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.150000000000006 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.149999999999999 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.310000000000002 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.099999999999994 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.409999999999997 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.412 ' HE1' HG23 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 75.420000000000002 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 62.509999999999998 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.487 HG22 HG22 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.439999999999998 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.329999999999998 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 74.510000000000005 107.741 -178.837 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.541 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.019999999999996 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.552 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 74.209999999999994 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.400000000000006 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.623 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp -99.06 52.76 0.97 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 74.109999999999999 109.25 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -78.27 89.44 4.32 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.737 -0.665 . . . . 65.129999999999995 109.578 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -125.59 21.07 7.83 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.669 -1.15 . . . . 71.329999999999998 109.781 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 m80 66.89 99.73 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.033 1.333 . . . . 73.230000000000004 111.946 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -137.89 147.22 44.23 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.583 -1.265 . . . . 75.150000000000006 107.583 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -89.45 59.42 4.79 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.537 0.335 . . . . 72.519999999999996 110.38 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.5 m170 67.28 -72.12 0.09 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.331 1.452 . . . . 72.409999999999997 111.554 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 123.837 0.855 . . . . 70.5 109.271 173.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.845 -0.428 . . . . 74.150000000000006 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.23 -71.47 0.31 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.966 0.906 . . . . 71.439999999999998 110.395 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.7 -128.37 1.22 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 111.193 -0.763 . . . . 72.040000000000006 111.193 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.614 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 21.2 ttmm -169.05 -162.12 0.35 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 107.36 -1.348 . . . . 75.430000000000007 107.36 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.614 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 36.2 mm-40 -59.12 86.41 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.011 0.925 . . . . 65.140000000000001 111.909 168.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.415 HD22 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.420000000000002 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.481 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 74.109999999999999 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG22 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 73.219999999999999 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.219999999999999 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.019999999999996 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.505 ' HE3' ' H ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.340000000000003 109.021 -173.535 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 74.099999999999994 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.417 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.400000000000006 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p -106.24 98.37 8.06 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 62.310000000000002 109.891 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.51 -65.04 3.47 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.956 -0.565 . . . . 75.310000000000002 112.534 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -169.97 84.35 0.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.484 -1.673 . . . . 60.329999999999998 106.484 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.1 -54.67 7.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.171 0.588 . . . . 75.299999999999997 110.316 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.48 17.76 11.05 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.296 1.038 . . . . 73.230000000000004 112.627 172.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -136.54 142.22 43.42 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.72 -0.844 . . . . 75.310000000000002 108.72 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.73 116.19 8.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.708 -0.849 . . . . 73.25 108.708 172.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.505 ' H ' ' HE3' ' A' ' 11' ' ' LYS . 63.5 m -124.02 104.43 8.88 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.329999999999998 106.97 -177.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.450000000000003 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.510000000000005 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 61.109999999999999 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.686 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.140000000000001 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.209999999999994 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 74.430000000000007 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 74.120000000000005 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 75.299999999999997 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.329999999999998 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 71.310000000000002 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.310000000000002 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 74.439999999999998 111.387 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.409999999999997 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 73.230000000000004 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 73.010000000000005 110.624 174.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 71.040000000000006 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.454 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.420000000000002 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 71.030000000000001 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 54.210000000000001 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.130000000000003 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.454 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 73.310000000000002 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.230000000000004 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.543 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 75.340000000000003 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.530000000000001 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.530000000000001 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.7 HD12 HD12 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.329999999999998 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 75.140000000000001 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.589 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 64.409999999999997 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.589 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 24.9 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.200000000000003 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 72.439999999999998 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.68 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 74.239999999999995 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.540000000000006 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.417 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 74.420000000000002 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.310000000000002 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.404 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 75.209999999999994 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.438 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.409999999999997 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.530000000000001 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.129999999999995 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 75.129999999999995 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.74 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 73.140000000000001 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.140000000000001 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.299999999999997 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.632 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 74.129999999999995 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 72.319999999999993 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.040000000000006 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 71.310000000000002 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.632 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 72.25 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 73.430000000000007 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.239999999999995 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 74.120000000000005 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.439999999999998 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.436 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 74.329999999999998 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 63.009999999999998 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 75.409999999999997 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.150000000000006 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 75.019999999999996 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.439999999999998 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.329999999999998 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 73.420000000000002 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 73.109999999999999 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 75.310000000000002 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.425 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.519999999999996 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.049999999999997 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 72.319999999999993 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.479 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.349999999999994 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD12 HD12 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.230000000000004 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.520000000000003 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 65.239999999999995 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.484 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 74.310000000000002 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 75.310000000000002 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.562 ' HB2' HG11 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 75.530000000000001 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 75.510000000000005 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.714 HG21 HG21 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 74.329999999999998 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 74.310000000000002 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 74.510000000000005 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.74 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 75.010000000000005 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.200000000000003 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 74.400000000000006 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.436 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 73.010000000000005 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.438 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 64.230000000000004 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.714 HG21 HG21 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.540000000000006 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.404 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 62.329999999999998 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.562 HG11 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 73.409999999999997 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 75.310000000000002 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.54 HD13 HD11 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.219999999999999 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 73.310000000000002 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.482 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp -97.29 -25.38 15.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.120000000000005 110.321 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 131.02 37.01 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.748 -0.834 . . . . 74.25 108.748 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -90.96 53.9 2.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.022 0.929 . . . . 74.010000000000005 109.119 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.99 114.4 11.1 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.616 -1.175 . . . . 74.430000000000007 108.527 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -71.12 86.44 0.75 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.122 0.889 . . . . 64.5 111.687 -168.228 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -145.14 82.53 1.66 Allowed 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.716 -1.957 . . . . 72.319999999999993 105.716 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -66.33 90.76 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.956 -1.02 . . . . 74.319999999999993 110.176 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 125.512 1.525 . . . . 72.129999999999995 111.046 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' SD ' ' N ' ' A' ' 1' ' ' MET . 1.6 mpt? . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.402 -0.592 . . . . 75.420000000000002 109.402 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.54 152.03 26.18 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.166 0.586 . . . . 60.420000000000002 110.63 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.12 156.91 12.86 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.755 -0.657 . . . . 72.109999999999999 112.28 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -115.52 152.61 32.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.085 -0.709 . . . . 75.209999999999994 109.085 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -157.9 86.27 0.9 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 73.439999999999998 109.88 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.409999999999997 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 64.0 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.744 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 74.25 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.349999999999994 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.474 HG13 HG13 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 73.409999999999997 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.591 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 72.409999999999997 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.487 HD11 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 72.129999999999995 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.542 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.310000000000002 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.508 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p -82.71 19.61 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 64.319999999999993 112.127 -175.341 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.55 -20.39 41.74 Favored Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.767 -0.533 . . . . 73.239999999999995 111.767 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -102.48 100.11 10.2 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.407 -0.96 . . . . 75.439999999999998 108.407 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.74 -29.58 70.78 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.032 0.933 . . . . 75.420000000000002 111.568 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.53 -56.91 13.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.408 0.683 . . . . 61.140000000000001 110.707 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -94.17 77.63 4.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.988 0.915 . . . . 73.450000000000003 109.374 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.66 117.4 11.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.063 -1.426 . . . . 75.010000000000005 109.607 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.401 ' HB ' ' HZ2' ' A' ' 47' ' ' LYS . 39.4 p -95.75 104.3 16.21 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 107.89 -1.152 . . . . 74.430000000000007 107.89 178.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 75.329999999999998 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.409999999999997 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.744 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 73.099999999999994 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.109999999999999 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 70.209999999999994 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.329999999999998 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 74.200000000000003 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.020000000000003 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.310000000000002 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 72.340000000000003 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.109999999999999 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.483 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.109999999999999 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 75.310000000000002 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.53 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 75.099999999999994 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.299999999999997 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.540000000000006 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.474 HG13 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 75.310000000000002 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.540000000000006 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.439999999999998 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.462 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.430000000000007 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.425 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 75.439999999999998 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.478 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 74.109999999999999 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.466 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.310000000000002 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.518 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.329999999999998 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.319999999999993 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.478 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 72.310000000000002 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.508 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 75.219999999999999 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 62.530000000000001 113.699 -168.593 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.518 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 71.109999999999999 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.495 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.542 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.140000000000001 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG13 HD11 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.120000000000005 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.591 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 75.120000000000005 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.474 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 63.219999999999999 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.595 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 73.099999999999994 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 74.040000000000006 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 63.149999999999999 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.546 ' HA ' HD22 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 73.030000000000001 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 74.439999999999998 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.129999999999995 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.546 HD22 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.319999999999993 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 75.430000000000007 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.109999999999999 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.450000000000003 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 73.340000000000003 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 74.319999999999993 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.349999999999994 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 71.420000000000002 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.519999999999996 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 74.319999999999993 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.417 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 75.239999999999995 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.53 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 74.439999999999998 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.464 ' HB1' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.319999999999993 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.417 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.540000000000006 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.412 HG22 ' O ' ' A' ' 76' ' ' TRP . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.329999999999998 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.549999999999997 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 75.299999999999997 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 71.400000000000006 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 74.420000000000002 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.229999999999997 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 75.239999999999995 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.430000000000007 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.477 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.209999999999994 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.140000000000001 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.558 ' HB2' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 74.129999999999995 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.340000000000003 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.150000000000006 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.109999999999999 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.540000000000006 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 73.120000000000005 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 74.310000000000002 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 75.409999999999997 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 72.310000000000002 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.450000000000003 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 73.019999999999996 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.464 ' HE2' ' HB1' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 73.409999999999997 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.595 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 72.540000000000006 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.099999999999994 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 72.25 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.150000000000006 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.049999999999997 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.558 HD22 ' HB2' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 74.230000000000004 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 73.120000000000005 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.43 -59.78 2.55 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.540000000000006 109.1 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 58.75 7.26 0.73 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.255 1.422 . . . . 73.230000000000004 114.162 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -79.66 -7.42 58.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.915 0.886 . . . . 74.450000000000003 109.95 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -161.81 65.1 0.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.57 1.148 . . . . 73.420000000000002 107.965 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -82.26 81.42 8.16 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.506 -0.77 . . . . 74.239999999999995 109.144 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 70.39 117.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.934 1.294 . . . . 74.129999999999995 110.705 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -55.26 -39.85 70.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.998 0.919 . . . . 63.509999999999998 112.557 -173.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.129 -1.063 . . . . 63.409999999999997 108.129 170.396 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.172 -0.307 . . . . 73.310000000000002 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 85.38 2.52 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 115.624 -0.716 . . . . 63.439999999999998 111.697 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.04 89.9 0.02 OUTLIER Glycine 0 C--N 1.353 1.52 0 O-C-N 124.285 0.991 . . . . 72.299999999999997 113.834 173.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.505 ' HG3' HD13 ' A' ' 6' ' ' LEU . 44.9 tptt -149.76 158.1 43.84 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 117.468 0.634 . . . . 71.219999999999999 110.728 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -88.74 -4.03 58.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.685 1.194 . . . . 70.219999999999999 111.116 -174.225 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.584 HD23 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 74.299999999999997 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 74.549999999999997 109.594 -172.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.429 HG11 HD11 ' A' ' 25' ' ' LEU . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 72.329999999999998 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 73.239999999999995 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.457 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 73.519999999999996 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.52 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.219999999999999 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.349999999999994 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.430000000000007 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.566 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t -155.46 -42.48 0.08 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.400000000000006 109.355 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -78.73 67.97 3.09 Favored Glycine 0 C--N 1.349 1.27 0 CA-C-N 115.038 -0.983 . . . . 65.540000000000006 111.56 174.651 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.77 -25.45 68.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.18 0.992 . . . . 65.140000000000001 111.475 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.09 70.79 8.0 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.533 1.133 . . . . 72.400000000000006 109.878 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 63.51 10.11 4.66 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 125.141 1.376 . . . . 73.120000000000005 113.738 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.432 ' HE3' HG23 ' A' ' 21' ' ' THR . 63.4 tttp -102.25 99.03 9.1 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.013 -1.054 . . . . 72.209999999999994 111.052 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.49 117.2 17.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.113 -1.069 . . . . 74.349999999999994 108.113 167.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.508 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p -99.99 113.75 26.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.420000000000002 108.585 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 74.310000000000002 109.327 176.774 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.457 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 73.219999999999999 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.340000000000003 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.79 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 74.329999999999998 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.409999999999997 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.447 ' CE1' ' HB1' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.540000000000006 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.450000000000003 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.411 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 75.409999999999997 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.448 ' HB2' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.310000000000002 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.430000000000007 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.411 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 72.109999999999999 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.447 ' HB1' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 72.400000000000006 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.439999999999998 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.420000000000002 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.79 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 70.5 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.219999999999999 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.340000000000003 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.310000000000002 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.527 HG22 HD12 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 73.340000000000003 112.042 178.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.319999999999993 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 75.25 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 72.140000000000001 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.438 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 63.450000000000003 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.448 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.230000000000004 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 74.140000000000001 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.597 HG22 HD12 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 74.310000000000002 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 74.400000000000006 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 73.010000000000005 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.030000000000001 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 73.200000000000003 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.566 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.329999999999998 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.675 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.329999999999998 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 74.530000000000001 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 73.049999999999997 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.52 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 73.209999999999994 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.415 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.109999999999999 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.439999999999998 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.030000000000001 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.010000000000005 109.71 173.038 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.553 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.099999999999994 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.414 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 75.319999999999993 109.843 -166.22 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 74.010000000000005 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.584 ' HB3' HD23 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 75.549999999999997 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 73.540000000000006 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.140000000000001 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 73.010000000000005 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 73.510000000000005 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.432 ' HB2' HD12 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.420000000000002 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 73.439999999999998 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.448 ' HE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.430000000000007 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.400000000000006 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.476 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.349999999999994 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.428 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.400000000000006 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.540000000000006 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.319999999999993 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.140000000000001 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.428 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 75.409999999999997 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 72.109999999999999 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.140000000000001 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 75.019999999999996 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 74.400000000000006 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.439999999999998 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 71.239999999999995 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.219999999999999 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.674 ' HB3' HD23 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 72.239999999999995 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.210000000000001 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.219999999999999 112.61 167.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.310000000000002 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.439999999999998 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.592 ' HB3' HG12 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 74.129999999999995 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.540000000000006 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.432 HG22 HG12 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 64.120000000000005 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.040000000000006 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.219999999999999 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.329999999999998 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.120000000000005 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 74.439999999999998 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 75.340000000000003 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.553 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 74.299999999999997 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.415 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.109999999999999 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.432 HG12 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.540000000000006 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 73.140000000000001 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.592 HG12 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.120000000000005 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.400000000000006 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.425 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 75.019999999999996 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.319999999999993 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.674 HD23 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp -110.31 106.16 15.44 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 72.439999999999998 107.602 169.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.78 80.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 106.999 -1.482 . . . . 71.349999999999994 106.999 164.513 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -60.57 97.57 0.05 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.951 -1.022 . . . . 75.150000000000006 108.605 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -23.47 -68.12 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.461 1.904 . . . . 75.109999999999999 114.025 -162.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -94.88 94.78 8.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.805 -0.813 . . . . 71.329999999999998 108.805 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -123.68 133.78 53.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 107.432 -1.321 . . . . 72.209999999999994 107.432 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.61 -36.21 75.99 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.793 0.437 . . . . 74.510000000000005 110.454 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 . . . . . 0 C--O 1.259 1.569 0 C-N-CA 124.182 0.993 . . . . 74.519999999999996 109.1 176.008 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.484 ' SD ' ' HB3' ' A' ' 32' ' ' GLU . 26.4 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.938 -0.393 . . . . 74.5 109.938 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.67 99.45 1.72 Allowed 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.081 1.352 . . . . 71.409999999999997 107.725 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.65 175.53 40.66 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-O 120.031 -0.316 . . . . 74.120000000000005 112.49 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt 58.32 83.27 0.12 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.124 0.97 . . . . 72.329999999999998 110.893 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -167.87 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.232 -0.44 . . . . 75.25 109.984 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 72.450000000000003 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.310000000000002 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.553 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.439999999999998 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.329999999999998 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.691 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.340000000000003 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.602 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 74.219999999999999 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.513 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.140000000000001 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.439999999999998 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.415 ' SG ' ' HB2' ' A' ' 16' ' ' ASN . 43.0 t -169.15 -51.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 72.010000000000005 108.682 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.51 31.59 79.17 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.07 -0.968 . . . . 72.109999999999999 112.812 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.415 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 28.4 t-20 -62.49 145.96 52.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.548 0.739 . . . . 73.319999999999993 109.981 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t70 72.94 -69.5 0.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.903 1.377 . . . . 74.120000000000005 108.336 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 173.55 174.38 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.652 1.981 . . . . 63.219999999999999 106.654 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 70.32 143.64 0.05 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.675 1.19 . . . . 74.219999999999999 112.641 170.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.602 ' HB2' ' HE2' ' A' ' 11' ' ' LYS . 13.2 pt-20 -78.24 149.49 33.61 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.216 -0.902 . . . . 75.420000000000002 110.281 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 27.8 m -122.32 108.59 13.42 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.235 0.614 . . . . 73.030000000000001 110.045 -176.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.42 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.530000000000001 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.691 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.120000000000005 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.451 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.409999999999997 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.635 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 75.409999999999997 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.451 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.049999999999997 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.540000000000006 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.519999999999996 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 75.420000000000002 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.697 ' HB3' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 72.319999999999993 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 72.200000000000003 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.484 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 72.209999999999994 111.508 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.46 ' HA ' HD21 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.420000000000002 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.209999999999994 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.219999999999999 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.635 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 74.420000000000002 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.534 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 61.140000000000001 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.430000000000007 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 73.510000000000005 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 71.349999999999994 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 63.43 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 74.140000000000001 111.744 -173.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 72.340000000000003 109.51 174.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 64.219999999999999 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.513 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 74.420000000000002 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 75.109999999999999 110.571 179.28 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.140000000000001 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.209999999999994 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 74.329999999999998 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 24.32 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 75.030000000000001 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.329999999999998 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.426 ' NH2' ' HZ2' ' A' ' 57' ' ' LYS . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.540000000000006 109.7 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 73.049999999999997 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.426 ' HZ2' ' NH2' ' A' ' 55' ' ' ARG . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 73.340000000000003 109.379 -179.66 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.404 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.400000000000006 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.129999999999995 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.553 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.25 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.540000000000006 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.340000000000003 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.319999999999993 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 75.109999999999999 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 74.340000000000003 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.299999999999997 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.319999999999993 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.462 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.219999999999999 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 75.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.150000000000006 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.150000000000006 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.697 ' HB3' ' HB3' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.430000000000007 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.540000000000006 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 72.439999999999998 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.450000000000003 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.534 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 74.420000000000002 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.129999999999995 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.430000000000007 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 75.310000000000002 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.404 HG21 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.319999999999993 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 74.219999999999999 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 74.140000000000001 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.477 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 74.430000000000007 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 74.099999999999994 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 75.120000000000005 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.349999999999994 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.349999999999994 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.619 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 73.25 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 64.150000000000006 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 54.149999999999999 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 74.25 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 75.450000000000003 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 74.299999999999997 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 74.319999999999993 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 72.109999999999999 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.140000000000001 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.319999999999993 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.422 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.530000000000001 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.119999999999997 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 70.349999999999994 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.422 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.310000000000002 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.340000000000003 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.140000000000001 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 71.230000000000004 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.340000000000003 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.409999999999997 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 75.200000000000003 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.517 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 75.319999999999993 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 74.299999999999997 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.619 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp -94.16 104.48 16.5 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.299999999999997 107.712 172.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.464 ' HB2' ' HD2' ' A' ' 113' ' ' HIS . 0.0 OUTLIER -78.26 72.68 4.81 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.739 1.257 . . . . 73.120000000000005 108.292 169.158 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -82.98 66.89 8.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.051 -1.431 . . . . 73.5 108.141 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . 0.464 ' HD2' ' HB2' ' A' ' 111' ' ' GLU . 26.2 p80 -104.03 104.75 14.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.305 -0.861 . . . . 73.519999999999996 110.314 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -168.34 -44.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.744 -1.116 . . . . 75.150000000000006 109.577 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.18 -5.89 59.28 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.185 -0.916 . . . . 74.010000000000005 111.044 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -77.34 124.38 27.78 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.589 -0.893 . . . . 70.239999999999995 108.589 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.565 1.521 0 O-C-N 124.616 1.197 . . . . 75.230000000000004 110.677 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 111.81 0.3 . . . . 74.319999999999993 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.82 99.4 5.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 54.43 110.296 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.06 113.27 4.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.443 -0.663 . . . . 74.049999999999997 111.443 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -66.4 155.82 36.35 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.307 0.643 . . . . 73.540000000000006 111.098 -174.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.83 94.73 0.85 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.835 0.854 . . . . 75.200000000000003 111.2 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.562 HD21 HD22 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.540000000000006 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.040000000000006 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 71.530000000000001 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.486 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 70.450000000000003 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 72.329999999999998 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.420000000000002 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.57 HG23 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.439999999999998 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.409999999999997 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.87 -51.47 0.09 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.239999999999995 112.218 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.61 177.05 35.41 Favored Glycine 0 C--N 1.348 1.222 0 C-N-CA 121.758 -0.258 . . . . 72.129999999999995 113.318 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -80.86 -26.87 36.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.971 0.908 . . . . 74.129999999999995 111.86 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.88 -8.85 58.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.501 0.721 . . . . 71.230000000000004 111.027 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.21 166.61 22.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.38 0.672 . . . . 74.109999999999999 111.863 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -118.23 -169.38 1.69 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.375 1.07 . . . . 75.299999999999997 109.194 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.29 119.22 7.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.151 0.58 . . . . 75.540000000000006 110.538 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -121.36 103.57 9.06 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 73.099999999999994 108.065 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 74.409999999999997 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 75.439999999999998 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 63.210000000000001 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 74.439999999999998 108.011 -179.09 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 72.150000000000006 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.459 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 72.420000000000002 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 62.009999999999998 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.508 ' HE2' ' HA ' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 75.420000000000002 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.340000000000003 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.319999999999993 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.129999999999995 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.450000000000003 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 75.319999999999993 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.340000000000003 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 74.439999999999998 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.448 HD22 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.409999999999997 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 75.430000000000007 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 72.030000000000001 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.408 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 71.120000000000005 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.439999999999998 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.422 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 74.109999999999999 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 71.430000000000007 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 64.420000000000002 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.422 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 75.209999999999994 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.652 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 73.040000000000006 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.5 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 73.340000000000003 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.422 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 73.5 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.120000000000005 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.481 ' NE2' ' HA ' ' A' ' 114' ' ' HIS . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.219999999999999 110.1 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.519999999999996 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.652 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.129999999999995 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.446 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 75.019999999999996 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.429 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.109999999999999 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 73.0 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.573 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.510000000000005 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.722 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 73.040000000000006 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.486 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 74.430000000000007 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.239999999999995 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.219999999999999 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 74.549999999999997 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 74.329999999999998 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.140000000000001 113.14 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.645 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.420000000000002 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 61.229999999999997 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 73.439999999999998 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.481 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 72.409999999999997 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.645 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 62.299999999999997 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 73.120000000000005 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.510000000000005 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.481 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 72.409999999999997 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 73.329999999999998 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 75.340000000000003 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.140000000000001 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 75.319999999999993 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.531 ' HB2' HG22 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.430000000000007 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 74.109999999999999 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 73.340000000000003 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.420000000000002 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 55.219999999999999 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.120000000000005 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.340000000000003 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.41 HG13 ' O ' ' A' ' 80' ' ' VAL . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 74.230000000000004 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . 0.48 ' HA ' ' HB1' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.409999999999997 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.439999999999998 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 75.209999999999994 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 71.25 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 75.099999999999994 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.48 ' HB1' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 74.340000000000003 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 73.140000000000001 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 70.400000000000006 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.540000000000006 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.010000000000005 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.459 HG22 HG12 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.622 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.439999999999998 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 72.010000000000005 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.510000000000005 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.200000000000003 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 72.25 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.340000000000003 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.59 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.210000000000001 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.622 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.299999999999997 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.722 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.409999999999997 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 75.5 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.52 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.409999999999997 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.299999999999997 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 75.030000000000001 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.329999999999998 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.411 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.2 mp -121.28 35.79 4.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 74.239999999999995 109.411 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 100.69 0.06 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 107.904 -1.147 . . . . 72.510000000000005 107.904 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.94 -70.68 0.53 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.71 -0.677 . . . . 75.450000000000003 110.098 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -134.52 117.93 16.74 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.417 -0.957 . . . . 73.239999999999995 108.417 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . 0.481 ' HA ' ' NE2' ' A' ' 51' ' ' GLN . 33.7 p80 -64.71 -18.6 65.15 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.899 0.88 . . . . 74.430000000000007 110.996 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 66.42 -94.01 0.03 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.367 1.467 . . . . 74.349999999999994 109.968 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -155.44 145.78 21.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.339 -0.986 . . . . 73.049999999999997 108.339 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.7 t60 . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.779 -0.823 . . . . 75.319999999999993 108.779 -179.436 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 108.469 -0.937 . . . . 75.239999999999995 108.469 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.93 158.79 21.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.201 1.0 . . . . 72.120000000000005 109.841 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.75 5.37 61.36 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 116.339 -0.391 . . . . 53.210000000000001 112.655 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -96.07 -2.29 46.99 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.82 0.848 . . . . 71.540000000000006 110.766 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.41 134.8 35.6 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.209999999999994 108.58 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 74.439999999999998 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.492 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.644 HG22 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.109999999999999 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 71.319999999999993 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.47 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.463 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.040000000000006 108.392 -167.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 65.219999999999999 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.519999999999996 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.544 ' HB3' ' HG ' ' A' ' 53' ' ' CYS . 23.9 p -162.73 163.39 26.86 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.340000000000003 110.635 -173.17 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.23 51.34 0.21 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.147 -0.781 . . . . 73.340000000000003 111.147 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -128.55 84.83 2.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.291 1.036 . . . . 72.019999999999996 109.651 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 71.02 -62.1 0.46 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.866 1.266 . . . . 71.420000000000002 109.576 -166.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.75 136.02 36.08 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.107 -0.951 . . . . 72.239999999999995 109.502 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -75.27 167.19 22.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.416 1.087 . . . . 73.010000000000005 110.531 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.463 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 8.6 pt-20 -57.42 118.81 5.54 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.819 0.848 . . . . 71.310000000000002 109.19 168.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -117.07 122.59 44.58 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.413 0.685 . . . . 72.0 112.132 -164.197 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.47 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.430000000000007 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.464 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 74.209999999999994 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 75.140000000000001 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.644 ' HG ' HG22 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.519999999999996 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.42 ' H ' HG21 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.439999999999998 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.452 ' HZ ' ' HB2' ' A' ' 72' ' ' LYS . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.430000000000007 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.510000000000005 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.549999999999997 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 61.210000000000001 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.109999999999999 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.530000000000001 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.439 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.140000000000001 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 75.450000000000003 110.607 -175.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.010000000000005 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.535 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 75.019999999999996 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 73.230000000000004 110.941 174.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 75.209999999999994 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 75.340000000000003 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 72.519999999999996 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.229999999999997 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.456 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.310000000000002 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 74.340000000000003 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.349999999999994 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 55.240000000000002 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.420000000000002 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.478 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.420000000000002 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.421 HG23 ' HG ' ' A' ' 88' ' ' LEU . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 73.439999999999998 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' HZ3' ' HB3' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.109999999999999 109.752 175.856 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 74.150000000000006 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.340000000000003 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.150000000000006 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.544 ' HG ' ' HB3' ' A' ' 14' ' ' CYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.439999999999998 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.658 ' HB2' ' HZ2' ' A' ' 54' ' ' LYS . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.409999999999997 113.566 175.601 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 73.549999999999997 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 74.209999999999994 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 74.430000000000007 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 73.299999999999997 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' HD1' HG13 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.409999999999997 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.492 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 73.319999999999993 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 74.409999999999997 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 74.439999999999998 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.495 HD11 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.219999999999999 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 72.519999999999996 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.329999999999998 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.407 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.349999999999994 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.405 ' HB1' ' HB2' ' A' ' 65' ' ' LEU . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.319999999999993 110.961 -177.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.495 ' HB2' HD11 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.519999999999996 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.58 ' HB2' ' HZ2' ' A' ' 71' ' ' LYS . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.439999999999998 110.893 -177.006 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.452 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.120000000000005 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 74.340000000000003 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 73.310000000000002 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.400000000000006 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.450000000000003 111.18 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.340000000000003 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 75.409999999999997 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 71.230000000000004 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.109999999999999 109.078 173.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.419 ' HB3' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.209999999999994 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 75.450000000000003 110.96 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.519999999999996 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 70.200000000000003 110.427 177.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.310000000000002 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.542 ' HB3' HD21 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 73.209999999999994 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.542 HD21 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 71.510000000000005 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 40.340000000000003 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 74.0 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 73.019999999999996 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 75.5 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.419 ' OG ' ' HB3' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.230000000000004 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 75.439999999999998 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.120000000000005 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 74.010000000000005 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 72.150000000000006 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 71.140000000000001 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.209999999999994 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.450000000000003 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 71.329999999999998 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.519999999999996 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 74.540000000000006 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 73.430000000000007 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 65.099999999999994 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.594 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 70.519999999999996 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 75.310000000000002 110.058 177.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.420000000000002 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp -112.63 35.06 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 75.109999999999999 110.398 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -50.59 -38.21 44.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.49 1.116 . . . . 71.329999999999998 110.933 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.92 144.04 26.59 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.59 -1.186 . . . . 70.140000000000001 108.769 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -66.81 -23.66 66.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.597 0.759 . . . . 74.439999999999998 111.389 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.2 m170 76.53 -50.57 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.053 1.741 . . . . 71.049999999999997 111.538 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -77.41 107.18 9.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 73.25 108.711 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -129.53 -169.77 2.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.976 . . . . 73.230000000000004 109.655 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.3 m80 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.794 -0.817 . . . . 75.319999999999993 108.794 173.313 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.473 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.3 mpt? . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.541 0.21 . . . . 74.329999999999998 110.484 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.96 85.1 1.76 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.415 0.686 . . . . 73.319999999999993 110.07 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.9 -87.51 0.21 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.709 -0.678 . . . . 75.439999999999998 111.725 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -172.25 169.72 5.33 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 124.102 0.961 . . . . 64.400000000000006 109.125 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.74 86.16 3.36 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.922 0.489 . . . . 74.310000000000002 110.917 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.439999999999998 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 75.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.564 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.340000000000003 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 70.25 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.498 HD13 HG21 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.120000000000005 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 75.129999999999995 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.010000000000005 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.450000000000003 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 49.0 t -108.71 157.44 18.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.450000000000003 110.454 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 99.07 1.31 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.885 -0.598 . . . . 62.109999999999999 111.987 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m120 69.19 0.32 2.79 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.971 1.309 . . . . 71.409999999999997 114.197 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.1 83.97 7.77 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.432 -1.321 . . . . 73.519999999999996 107.432 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.44 82.24 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.171 -1.377 . . . . 71.549999999999997 113.171 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -169.87 119.58 0.63 Allowed 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.204 -1.406 . . . . 75.310000000000002 107.204 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -74.36 149.18 40.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.613 -0.514 . . . . 75.299999999999997 109.613 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m -131.55 104.42 6.95 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 72.150000000000006 109.114 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.481 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.140000000000001 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.409999999999997 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 73.420000000000002 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.564 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.299999999999997 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.439999999999998 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.473 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.010000000000005 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 52.310000000000002 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.577 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.400000000000006 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 63.409999999999997 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.019999999999996 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.577 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 54.240000000000002 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.473 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 74.540000000000006 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.140000000000001 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.219999999999999 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.481 ' HB3' HD23 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.140000000000001 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.402 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 74.019999999999996 110.476 175.302 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 75.049999999999997 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.549999999999997 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 71.329999999999998 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.239999999999995 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 74.140000000000001 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 73.150000000000006 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 75.329999999999998 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.736 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.430000000000007 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.475 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 75.420000000000002 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG22 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.420000000000002 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.736 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.450000000000003 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 74.140000000000001 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.340000000000003 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.503 ' HA2' HG22 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 63.210000000000001 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.409999999999997 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.430000000000007 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 74.120000000000005 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.741 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.140000000000001 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 73.409999999999997 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.51 HG23 ' HB2' ' A' ' 77' ' ' ALA . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 74.519999999999996 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.519999999999996 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 62.109999999999999 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 74.430000000000007 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 75.340000000000003 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.219999999999999 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.129999999999995 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 72.230000000000004 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.019999999999996 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.219999999999999 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.030000000000001 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.140000000000001 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.510000000000005 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 74.299999999999997 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.329999999999998 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 61.5 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 74.349999999999994 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.402 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.140000000000001 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.51 ' HB2' HG23 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.109999999999999 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.219999999999999 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.430000000000007 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.310000000000002 109.677 175.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.409 ' HB2' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 71.420000000000002 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 74.230000000000004 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.239999999999995 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.239999999999995 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.239999999999995 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.409999999999997 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.329999999999998 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 74.099999999999994 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.209999999999994 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.429 ' HB3' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 73.430000000000007 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 74.310000000000002 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.239999999999995 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.409 ' OG ' ' HB2' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.549999999999997 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 74.219999999999999 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 72.319999999999993 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.401 ' HG1' ' HG3' ' A' ' 103' ' ' GLU . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.519999999999996 108.186 168.563 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 73.019999999999996 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.140000000000001 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 64.420000000000002 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 75.439999999999998 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.030000000000001 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 75.209999999999994 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.401 ' HG3' ' HG1' ' A' ' 96' ' ' THR . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 74.299999999999997 111.618 -179.696 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 74.140000000000001 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.340000000000003 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.741 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 72.340000000000003 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 70.209999999999994 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.429 ' HB3' ' HB3' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 72.010000000000005 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.49 110.07 20.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 73.109999999999999 109.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -134.49 -65.5 0.64 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.149 0.98 . . . . 64.120000000000005 108.94 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -116.64 102.38 9.4 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.258 -0.645 . . . . 70.030000000000001 109.258 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.14 138.18 15.53 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.91 -1.144 . . . . 75.530000000000001 107.91 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -145.98 112.56 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.215 -1.031 . . . . 72.219999999999999 108.215 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -145.61 -53.73 0.28 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.26 1.024 . . . . 71.329999999999998 108.65 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 65.16 121.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.881 1.363 . . . . 73.349999999999994 111.298 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.19 0.596 . . . . 74.400000000000006 109.954 176.31 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.858 -0.423 . . . . 74.439999999999998 109.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.42 114.7 10.83 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.004 0.522 . . . . 52.329999999999998 109.623 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.54 82.99 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.632 0.582 . . . . 54.100000000000001 112.888 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -145.57 127.05 15.02 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 65.400000000000006 109.524 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -97.9 110.24 22.85 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 75.109999999999999 108.624 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.443 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.349999999999994 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.534 HG23 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 71.299999999999997 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 74.209999999999994 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.465 HG22 HG13 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.109999999999999 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 74.109999999999999 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.708 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 74.239999999999995 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.120000000000005 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p -108.87 104.75 14.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 70.109999999999999 110.76 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.76 -117.17 4.36 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.381 -0.827 . . . . 62.420000000000002 113.218 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -162.2 -49.36 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.867 0.867 . . . . 74.549999999999997 110.348 -175.4 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -96.08 56.65 1.68 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 122.255 1.026 . . . . 73.140000000000001 109.68 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -159.79 136.04 8.87 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.709 -1.132 . . . . 72.409999999999997 109.24 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -66.25 114.75 5.56 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.453 0.701 . . . . 64.239999999999995 110.709 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.19 150.4 43.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.243 1.017 . . . . 74.439999999999998 111.778 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m -116.55 115.81 26.44 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.691 0.796 . . . . 63.310000000000002 109.259 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 64.209999999999994 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.109999999999999 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 73.439999999999998 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.46 HD12 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.040000000000006 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.519999999999996 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.443 ' O ' ' HB2' ' A' ' 6' ' ' LEU . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.549999999999997 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.420000000000002 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.310000000000002 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.349999999999994 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.150000000000006 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.340000000000003 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.429 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.109999999999999 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 64.430000000000007 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.450000000000003 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.591 HD11 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 75.120000000000005 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.496 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.439999999999998 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.209999999999994 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.591 ' HD2' HD11 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 74.310000000000002 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.465 HG13 HG22 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 73.349999999999994 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.400000000000006 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.510000000000005 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.200000000000003 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.441 ' HB2' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.310000000000002 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 71.030000000000001 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.409999999999997 111.022 170.698 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.708 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 75.209999999999994 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.78 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 74.120000000000005 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.329999999999998 111.681 178.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.420000000000002 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.109999999999999 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 74.409999999999997 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.559 ' HB3' ' HZ3' ' A' ' 54' ' ' LYS . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 73.340000000000003 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.430000000000007 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 74.409999999999997 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 70.5 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.420000000000002 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.329999999999998 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.534 ' HD1' HG23 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.409999999999997 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.549999999999997 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.642 ' HG2' HD12 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 75.409999999999997 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.200000000000003 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 55.340000000000003 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.642 HD12 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.150000000000006 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 75.129999999999995 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.200000000000003 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.239999999999995 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 72.329999999999998 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.219999999999999 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 75.129999999999995 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.429 ' HB2' ' HZ2' ' A' ' 72' ' ' LYS . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.299999999999997 111.084 176.121 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.519999999999996 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.200000000000003 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.496 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.430000000000007 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.409999999999997 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 74.209999999999994 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.409999999999997 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 74.010000000000005 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 72.340000000000003 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.340000000000003 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.648 ' HA ' ' HE2' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.230000000000004 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.602 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 74.510000000000005 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.109999999999999 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.469 ' HB2' HD23 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.329999999999998 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.78 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 75.140000000000001 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.130000000000003 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.652 ' HA ' HD11 ' A' ' 110' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 75.25 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 73.420000000000002 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.415 ' HG3' ' H ' ' A' ' 93' ' ' SER . 11.3 tp60 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.439999999999998 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.415 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.040000000000006 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.430000000000007 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.415 HG21 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . 0.507 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.439999999999998 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 75.319999999999993 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.040000000000006 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 61.109999999999999 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 75.25 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 73.230000000000004 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.420000000000002 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . 0.507 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.120000000000005 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.415 HG22 HG21 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 75.329999999999998 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 65.219999999999999 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.61 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.409999999999997 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 73.129999999999995 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.603 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.439999999999998 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 71.439999999999998 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.652 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp -125.94 113.27 16.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.409999999999997 107.039 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.8 -46.44 62.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.016 -0.735 . . . . 75.420000000000002 109.016 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -152.01 164.32 37.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.776 -1.102 . . . . 72.129999999999995 109.403 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.8 160.77 41.86 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.276 -1.009 . . . . 74.349999999999994 108.276 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -65.42 95.0 0.19 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 109.267 -0.642 . . . . 72.430000000000007 109.267 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -85.72 138.6 31.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.317 1.047 . . . . 74.439999999999998 111.345 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -136.87 143.48 43.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.582 0.753 . . . . 75.340000000000003 109.147 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 CA--C 1.559 1.308 0 CA-C-O 120.968 0.414 . . . . 75.430000000000007 109.919 173.912 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.744 -0.465 . . . . 74.519999999999996 109.744 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.56 -51.59 4.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.577 0.751 . . . . 63.520000000000003 110.58 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.0 -165.18 12.29 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.79 -0.641 . . . . 44.229999999999997 112.249 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.78 114.43 7.97 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.822 -0.436 . . . . 75.140000000000001 109.822 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -129.74 146.16 51.51 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.793 0.837 . . . . 75.409999999999997 110.182 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.438 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 70.519999999999996 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.230000000000004 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.553 HG23 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 72.219999999999999 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 65.109999999999999 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.599 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 73.099999999999994 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.69 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.319999999999993 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 72.530000000000001 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.4 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.409999999999997 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.466 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t -128.96 23.02 5.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.319999999999993 109.589 -169.433 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.32 -138.88 22.47 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.211 -1.155 . . . . 64.230000000000004 110.211 -172.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -141.35 103.89 4.5 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.246 -0.649 . . . . 74.010000000000005 109.246 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -74.94 -40.18 60.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.844 0.858 . . . . 65.120000000000005 110.633 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -168.57 -44.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.825 -1.546 . . . . 72.420000000000002 106.825 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -139.19 167.82 21.22 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 113.408 -1.724 . . . . 74.129999999999995 108.4 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.52 ' HB3' ' HZ1' ' A' ' 11' ' ' LYS . 37.5 mt-10 -79.64 135.97 36.7 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.296 -1.001 . . . . 74.510000000000005 108.296 171.462 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p -81.27 104.49 11.76 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 74.230000000000004 109.491 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.488 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.310000000000002 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.599 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 74.400000000000006 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 65.040000000000006 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.553 ' HG ' HG23 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.209999999999994 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.310000000000002 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.438 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 74.299999999999997 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.329999999999998 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 75.319999999999993 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB3' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.129999999999995 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 73.219999999999999 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.120000000000005 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.049999999999997 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 74.519999999999996 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.340000000000003 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 75.129999999999995 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 75.319999999999993 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.420000000000002 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.512 ' HD2' HD12 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.439999999999998 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.487 HG11 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.439999999999998 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.430000000000007 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.400000000000006 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 75.129999999999995 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.461 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 74.420000000000002 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.299999999999997 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.717 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 75.230000000000004 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.537 HD12 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 74.5 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 74.519999999999996 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HZ1' ' HB3' ' A' ' 50' ' ' LYS . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.349999999999994 111.764 -173.868 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 72.430000000000007 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.409999999999997 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.717 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.329999999999998 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.601 ' HB3' ' HZ3' ' A' ' 54' ' ' LYS . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.420000000000002 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 73.409999999999997 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.319999999999993 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.69 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.426 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.230000000000004 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.409999999999997 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.468 ' HB3' ' HZ1' ' A' ' 62' ' ' LYS . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 74.530000000000001 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.442 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.683 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 75.430000000000007 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 72.25 111.679 -171.472 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 74.420000000000002 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 75.310000000000002 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.319999999999993 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.150000000000006 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.209999999999994 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.400000000000006 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.683 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 74.010000000000005 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 74.310000000000002 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.567 ' HD3' ' HB3' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 75.340000000000003 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.412 ' HB3' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 63.409999999999997 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 73.5 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 73.299999999999997 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.408 ' O ' HG22 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 75.319999999999993 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.299999999999997 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.200000000000003 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 72.040000000000006 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 73.230000000000004 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 61.32 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.040000000000006 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.44 HG23 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.430000000000007 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 72.409999999999997 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 72.140000000000001 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 75.409999999999997 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.449 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.519999999999996 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 74.450000000000003 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.402 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.109999999999999 109.993 178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.310000000000002 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.416 ' HB3' ' H ' ' A' ' 93' ' ' SER . 2.3 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 74.140000000000001 111.172 -177.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 92' ' ' GLN . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 72.239999999999995 112.514 -164.809 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.439999999999998 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 73.099999999999994 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 72.109999999999999 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 70.510000000000005 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.310000000000002 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 73.010000000000005 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 75.409999999999997 109.408 170.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.427 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 63.32 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 75.349999999999994 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 74.239999999999995 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.426 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.230000000000004 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.450000000000003 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.462 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 75.409999999999997 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 75.239999999999995 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.44 HD11 HG23 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 74.439999999999998 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.340000000000003 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.425 HD21 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? -84.42 101.61 12.14 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.349999999999994 108.259 171.17 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 68.39 118.67 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.111 1.364 . . . . 74.310000000000002 111.603 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -84.45 56.99 4.05 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.928 0.871 . . . . 74.519999999999996 108.843 168.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -95.84 6.15 49.6 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.184 -0.916 . . . . 74.319999999999993 109.96 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -106.81 106.31 16.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.548 1.139 . . . . 75.510000000000005 108.204 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -72.37 90.09 1.26 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.196 0.599 . . . . 71.5 110.883 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -99.06 53.96 0.98 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.664 -0.865 . . . . 71.319999999999993 108.664 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.0 t60 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.081 -1.081 . . . . 74.230000000000004 108.081 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.312 -0.625 . . . . 71.409999999999997 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.11 162.0 22.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.819 0.848 . . . . 73.439999999999998 109.996 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.06 179.61 32.71 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 110.802 -0.919 . . . . 43.340000000000003 110.802 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -148.3 -176.44 5.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.307 0.643 . . . . 73.510000000000005 110.546 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 70.27 -71.7 0.12 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.628 1.571 . . . . 75.329999999999998 112.001 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 72.010000000000005 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 75.430000000000007 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.442 HG13 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.450000000000003 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.519999999999996 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 71.019999999999996 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.349999999999994 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.120000000000005 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.120000000000005 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -85.5 -39.02 17.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 73.349999999999994 109.907 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.74 -66.36 0.19 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.829 -0.508 . . . . 51.450000000000003 111.829 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.97 39.06 1.11 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.551 0.74 . . . . 74.209999999999994 110.743 -174.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.55 63.58 8.15 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.318 0.647 . . . . 74.310000000000002 109.813 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.06 -52.79 63.87 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 107.616 -1.253 . . . . 74.109999999999999 107.616 165.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -75.06 96.99 3.32 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 105.825 -1.917 . . . . 71.25 105.825 161.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 131.1 48.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.834 0.454 . . . . 72.439999999999998 110.375 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.466 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m -89.48 103.18 15.84 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.209999999999994 107.567 -178.836 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.299999999999997 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.239999999999995 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.44 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.209999999999994 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.645 HD12 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 73.439999999999998 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.319999999999993 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.439999999999998 109.674 -175.085 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 74.450000000000003 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.310000000000002 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.040000000000006 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.465 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 74.310000000000002 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.549999999999997 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 73.319999999999993 111.451 179.213 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.465 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.618 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.030000000000001 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.645 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 75.120000000000005 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.608 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 75.439999999999998 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.623 ' HB2' ' HZ2' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.540000000000006 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.618 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 73.530000000000001 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 71.010000000000005 110.684 178.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 70.510000000000005 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.546 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 74.439999999999998 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.442 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.129999999999995 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 74.430000000000007 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.120000000000005 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.584 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 73.099999999999994 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.498 HG23 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.340000000000003 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.420000000000002 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.329999999999998 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.219999999999999 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.477 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 54.009999999999998 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 72.409999999999997 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 75.420000000000002 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.140000000000001 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.230000000000004 106.512 170.407 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 72.510000000000005 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.030000000000001 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.439999999999998 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.329999999999998 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 73.329999999999998 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.484 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 74.540000000000006 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.434 ' HA ' ' HA ' ' A' ' 100' ' ' ASP . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 73.5 112.476 168.375 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 72.340000000000003 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.451 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.340000000000003 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 73.349999999999994 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 61.409999999999997 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 74.25 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.484 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 73.120000000000005 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.329999999999998 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 75.329999999999998 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.039999999999999 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.530000000000001 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.401 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 75.319999999999993 109.737 177.477 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.608 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.409999999999997 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.467 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.019999999999996 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 72.040000000000006 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.401 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.230000000000004 111.521 178.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.435 HG22 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 73.109999999999999 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.120000000000005 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.109999999999999 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 72.040000000000006 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.209999999999994 108.688 177.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.420000000000002 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.510000000000005 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.426 ' HB2' HD21 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 75.109999999999999 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 HD13 HG23 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 64.150000000000006 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.109999999999999 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.415 ' HA ' HD13 ' A' ' 110' ' ' LEU . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 61.130000000000003 112.538 171.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.340000000000003 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.129999999999995 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.140000000000001 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.454 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 73.230000000000004 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.329999999999998 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.420000000000002 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.329999999999998 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 74.409999999999997 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.009999999999998 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.434 ' HA ' ' HA ' ' A' ' 63' ' ' LYS . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 72.150000000000006 112.207 -176.712 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.239999999999995 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.467 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 75.329999999999998 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.439999999999998 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 73.140000000000001 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.540000000000006 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 71.230000000000004 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.557 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 73.439999999999998 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.420000000000002 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.557 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 64.140000000000001 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.415 HD13 ' HA ' ' A' ' 90' ' ' ALA . 5.0 mp -120.48 137.37 54.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 74.420000000000002 108.681 177.501 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.01 133.54 24.95 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.518 -0.549 . . . . 64.439999999999998 109.518 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -112.79 126.79 55.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.834 -1.173 . . . . 74.109999999999999 107.834 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -68.79 75.51 0.29 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.104 0.962 . . . . 74.019999999999996 112.083 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 179.33 -25.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.435 . . . . 74.329999999999998 109.518 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -50.69 -56.34 12.38 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.069 1.348 . . . . 74.219999999999999 111.682 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.0 m80 63.43 -75.43 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.962 1.305 . . . . 73.319999999999993 111.596 -178.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 124.209 1.003 . . . . 72.340000000000003 109.125 178.411 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.115 -0.328 . . . . 74.120000000000005 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.72 99.17 0.05 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.922 1.289 . . . . 74.450000000000003 111.325 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.36 -135.1 8.76 Favored Glycine 0 N--CA 1.468 0.788 0 N-CA-C 111.147 -0.781 . . . . 73.329999999999998 111.147 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 60.31 -175.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.668 1.187 . . . . 73.109999999999999 112.062 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 56.86 79.46 0.18 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.625 1.17 . . . . 74.030000000000001 112.561 167.391 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.5 HD21 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.340000000000003 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.349999999999994 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.664 HG23 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.450000000000003 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.150000000000006 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.418 HD13 HG21 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.340000000000003 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.239999999999995 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.329999999999998 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 72.299999999999997 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p -131.43 29.52 4.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.019999999999996 108.953 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.63 -87.83 1.51 Allowed Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.12 -1.192 . . . . 63.140000000000001 110.12 -169.444 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -165.03 16.5 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.29 0.636 . . . . 60.240000000000002 110.249 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.41 -48.44 61.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.391 0.615 . . . . 74.120000000000005 109.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -103.54 123.39 46.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 107.064 -1.458 . . . . 62.420000000000002 107.064 164.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -69.06 148.3 50.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.226 -0.657 . . . . 74.409999999999997 109.226 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.68 123.51 15.18 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.693 0.797 . . . . 71.209999999999994 110.196 -175.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -131.96 107.83 8.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.354 0.662 . . . . 64.230000000000004 110.085 -175.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 74.430000000000007 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.230000000000004 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.299999999999997 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.664 ' HG ' HG23 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.209999999999994 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 64.430000000000007 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.5 ' HB2' HD21 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.120000000000005 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.349999999999994 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.439999999999998 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.230000000000004 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 72.219999999999999 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.129999999999995 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 73.340000000000003 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 74.450000000000003 111.533 -178.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.010000000000005 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 ' O ' HG22 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.409999999999997 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 75.450000000000003 110.999 178.132 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.475 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.120000000000005 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 74.25 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 75.310000000000002 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.010000000000005 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.475 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 64.150000000000006 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.529 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 73.209999999999994 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 63.409999999999997 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.678 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 71.150000000000006 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 74.150000000000006 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.529 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 74.530000000000001 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.678 HD13 ' HA ' ' A' ' 45' ' ' ALA . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.450000000000003 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.450000000000003 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 74.140000000000001 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 75.200000000000003 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 75.140000000000001 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 75.219999999999999 108.397 174.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.530000000000001 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.409999999999997 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 74.540000000000006 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 75.109999999999999 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.418 HG21 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.510000000000005 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 73.049999999999997 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.437 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.540000000000006 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 71.120000000000005 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.563 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 74.540000000000006 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.526 ' HB2' ' HZ3' ' A' ' 63' ' ' LYS . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.329999999999998 108.939 176.603 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.430000000000007 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 74.120000000000005 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 73.439999999999998 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 74.019999999999996 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 53.299999999999997 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.549999999999997 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.548 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 75.25 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 74.209999999999994 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 75.310000000000002 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 71.040000000000006 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 70.310000000000002 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.416 ' HA ' HD11 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 75.310000000000002 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.310000000000002 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.416 HD11 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.439999999999998 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.439999999999998 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 74.430000000000007 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.129999999999995 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.120000000000005 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.51 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 74.209999999999994 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.501 HG23 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.219999999999999 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.329999999999998 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.310000000000002 111.817 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.51 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.399999999999999 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.658 HD13 HD12 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 74.340000000000003 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.430000000000007 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.120000000000005 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 74.040000000000006 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.040000000000006 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.453 ' HB3' HG12 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 71.200000000000003 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.319999999999993 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.409 HG22 HG11 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.099999999999994 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 74.329999999999998 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 74.230000000000004 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.563 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.310000000000002 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.439999999999998 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.329999999999998 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 74.5 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.129999999999995 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.400000000000006 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.429 HG13 ' HB3' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 73.099999999999994 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.329999999999998 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.654 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.409999999999997 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 74.310000000000002 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.501 HD11 HG23 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.409999999999997 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 73.129999999999995 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.531 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? -94.47 19.37 9.78 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 71.420000000000002 110.696 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.87 -26.82 68.49 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.154 0.582 . . . . 74.239999999999995 109.86 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.5 m80 70.58 17.53 6.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.431 1.493 . . . . 72.450000000000003 112.482 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -100.19 98.81 9.46 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.952 0.901 . . . . 72.129999999999995 108.661 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.15 117.12 11.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.845 0.858 . . . . 72.239999999999995 110.212 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -131.5 95.69 3.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.108 0.48 . . . . 74.239999999999995 110.184 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -101.57 134.26 44.97 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.112 -1.44 . . . . 74.519999999999996 107.112 165.213 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 CA--C 1.562 1.435 0 C-N-CA 124.431 1.092 . . . . 74.25 109.799 -172.005 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.4 ttm . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.536 -0.542 . . . . 74.409999999999997 109.536 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.12 167.52 0.18 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.675 1.19 . . . . 64.519999999999996 112.504 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.89 -34.58 3.17 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 116.399 -0.364 . . . . 65.530000000000001 112.729 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -67.47 82.34 0.16 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.957 1.303 . . . . 74.349999999999994 109.571 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -169.02 54.19 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.937 0.895 . . . . 72.239999999999995 109.437 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.468 HD21 ' HB2' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 72.420000000000002 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.010000000000005 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.645 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.239999999999995 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.140000000000001 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.525 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.099999999999994 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.815 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 74.540000000000006 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.592 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.349999999999994 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.468 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.510000000000005 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t -110.89 -58.74 2.06 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.209999999999994 111.201 -167.006 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.32 156.28 9.4 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.058 -1.217 . . . . 72.540000000000006 110.058 -175.055 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.517 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 32.0 m-80 64.12 102.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.389 1.076 . . . . 72.530000000000001 108.689 -168.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.16 -24.57 67.73 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 71.409999999999997 111.362 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.25 -48.83 69.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.085 0.954 . . . . 72.109999999999999 109.62 170.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.517 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 56.6 tttm -87.39 72.12 9.81 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 122.412 1.101 . . . . 72.450000000000003 110.222 -175.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.96 152.35 33.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.084 -1.416 . . . . 73.349999999999994 109.449 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.592 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m -125.65 134.17 51.95 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.319999999999993 108.158 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 73.439999999999998 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.525 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.450000000000003 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.010000000000005 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.645 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 74.200000000000003 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.463 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.420000000000002 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.426 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 75.430000000000007 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.509 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.109999999999999 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.42 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 73.450000000000003 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.574 ' HB3' ' HZ3' ' A' ' 72' ' ' LYS . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.420000000000002 109.575 170.249 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 75.329999999999998 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.349999999999994 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 75.239999999999995 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 75.530000000000001 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.431 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.310000000000002 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.049999999999997 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.340000000000003 110.026 172.377 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.496 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 72.540000000000006 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.431 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 73.420000000000002 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.120000000000005 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.240000000000002 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.496 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.430000000000007 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 70.129999999999995 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.42 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 72.310000000000002 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 62.229999999999997 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.019999999999996 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.494 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 70.010000000000005 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.636 HD12 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.329999999999998 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 75.219999999999999 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.219999999999999 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.415 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 75.400000000000006 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 73.439999999999998 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.636 ' HB2' HD12 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.150000000000006 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 74.329999999999998 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.468 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.230000000000004 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 72.540000000000006 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.815 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.129999999999995 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 73.209999999999994 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 73.340000000000003 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.310000000000002 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 75.409999999999997 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.625 ' HZ1' ' HB2' ' A' ' 62' ' ' LYS . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.109999999999999 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 74.420000000000002 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 75.349999999999994 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 73.340000000000003 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.229999999999997 105.544 -170.754 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.540000000000006 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.319999999999993 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.468 ' HB2' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 54.240000000000002 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 74.219999999999999 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.519999999999996 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.574 ' HZ3' ' HB3' ' A' ' 30' ' ' ALA . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.420000000000002 111.471 -177.079 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.140000000000001 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.340000000000003 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 74.400000000000006 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.350000000000001 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 63.539999999999999 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.010000000000005 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.495 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.439999999999998 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 75.439999999999998 111.276 178.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 73.530000000000001 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 63.409999999999997 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.495 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 72.450000000000003 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 75.299999999999997 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.349999999999994 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 61.25 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 72.319999999999993 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.602 HD11 HG23 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.510000000000005 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.140000000000001 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 61.219999999999999 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.526 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.140000000000001 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.010000000000005 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.229999999999997 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.210000000000001 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.5 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 74.200000000000003 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 64.239999999999995 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.209999999999994 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.530000000000001 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.239999999999995 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.420000000000002 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.400000000000006 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.200000000000003 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 61.200000000000003 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.349999999999994 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.513 HG13 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.409999999999997 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 75.019999999999996 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.513 ' HG ' HG13 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 71.310000000000002 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.526 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.009999999999998 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -117.48 100.41 7.63 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.299999999999997 108.821 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 88.39 2.27 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 106.3 -1.741 . . . . 71.299999999999997 106.3 172.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 57.73 -61.62 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.016 2.127 . . . . 72.200000000000003 112.684 -167.633 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.2 t60 63.49 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.647 1.579 . . . . 73.239999999999995 109.277 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 62.5 t60 176.48 118.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.437 -1.32 . . . . 73.010000000000005 107.437 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -68.66 110.89 4.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.145 -1.057 . . . . 75.540000000000006 108.145 173.475 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -62.39 95.23 0.07 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.613 0.765 . . . . 72.010000000000005 111.063 -173.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 108.855 -0.794 . . . . 71.319999999999993 108.855 175.421 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.442 -0.577 . . . . 65.040000000000006 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.44 -18.72 61.68 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.682 0.793 . . . . 71.230000000000004 111.948 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.43 -112.16 3.87 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.327 -0.709 . . . . 73.109999999999999 111.327 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -164.25 2.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.736 0.814 . . . . 75.319999999999993 110.525 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -113.92 -167.54 1.22 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 73.519999999999996 111.492 -163.7 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.576 HD23 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 75.25 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.219999999999999 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.019999999999996 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.632 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.540000000000006 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.491 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 75.010000000000005 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.447 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.120000000000005 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.412 HD13 HG12 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 73.450000000000003 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.099999999999994 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 60.2 m -92.13 -5.57 52.46 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.340000000000003 112.861 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.4 -95.76 0.16 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 112.289 -0.324 . . . . 74.129999999999995 112.289 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.06 41.75 2.27 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.675 1.226 . . . . 75.140000000000001 108.402 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.32 -30.25 48.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 113.795 -1.548 . . . . 62.140000000000001 110.683 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 64.53 10.62 5.97 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.273 1.429 . . . . 73.340000000000003 111.958 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.544 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 9.8 mmpt? -86.69 90.26 8.21 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.585 -0.894 . . . . 75.319999999999993 108.585 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.59 113.58 4.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.071 -1.085 . . . . 73.120000000000005 108.071 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.447 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m -119.36 103.33 9.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 74.049999999999997 108.271 -177.306 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.491 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.340000000000003 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.120000000000005 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 54.25 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.42 HD11 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.319999999999993 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.310000000000002 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.576 ' HB2' HD23 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 72.129999999999995 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.140000000000001 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.340000000000003 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.400000000000006 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 75.319999999999993 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 60.25 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.455 ' HD2' HD11 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 73.120000000000005 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 72.340000000000003 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.42 ' HB3' HD11 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 73.239999999999995 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.455 HD11 ' HD2' ' A' ' 34' ' ' LYS . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.540000000000006 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.349999999999994 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.549999999999997 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 72.129999999999995 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.040000000000006 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 74.540000000000006 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 74.120000000000005 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.488 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.299999999999997 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.349999999999994 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.340000000000003 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 74.420000000000002 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.572 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.140000000000001 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.219999999999999 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.299999999999997 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.510000000000005 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.409999999999997 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.572 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 71.409999999999997 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.423 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 72.010000000000005 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.230000000000004 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.412 HG12 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 75.239999999999995 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 72.530000000000001 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.430000000000007 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . 0.632 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.340000000000003 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.444 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.200000000000003 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.654 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.230000000000004 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.441 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.329999999999998 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.654 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.430000000000007 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 74.420000000000002 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.41 HD22 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.230000000000004 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.340000000000003 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.407 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.420000000000002 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 60.109999999999999 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.329999999999998 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.299999999999997 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.129999999999995 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.549999999999997 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.120000000000005 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD13 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 75.329999999999998 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.438 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 73.239999999999995 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.340000000000003 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD13 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 74.120000000000005 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.425 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.140000000000001 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.509999999999998 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.340000000000003 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 74.510000000000005 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 70.230000000000004 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.120000000000005 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.319999999999993 112.002 176.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 72.019999999999996 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.409999999999997 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.601 HD13 ' HB1' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.540000000000006 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.040000000000006 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.661 ' HB2' HD21 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.200000000000003 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.41 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 74.329999999999998 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.553 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 73.319999999999993 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.553 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.439999999999998 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.430000000000007 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.455 ' HA ' HG23 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 74.450000000000003 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.120000000000005 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 74.019999999999996 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 72.349999999999994 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 73.239999999999995 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 75.120000000000005 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.439999999999998 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.439999999999998 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.450000000000003 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.455 HG23 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 70.540000000000006 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 73.019999999999996 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.516 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 61.530000000000001 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.41 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 74.209999999999994 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.661 HD21 ' HB2' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.530000000000001 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 72.430000000000007 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.3 mp -105.06 111.96 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.450000000000003 108.114 172.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.29 -61.25 1.86 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.774 -1.195 . . . . 73.030000000000001 107.774 168.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -163.51 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.295 1.438 . . . . 74.239999999999995 108.719 167.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -75.84 150.93 37.56 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.92 0.39 . . . . 73.540000000000006 111.758 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -139.28 142.85 37.72 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.744 0.818 . . . . 73.349999999999994 109.192 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.71 81.89 2.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 123.934 0.771 . . . . 75.209999999999994 109.841 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -79.64 142.61 35.42 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.947 -1.024 . . . . 71.25 109.394 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 108.387 -0.968 . . . . 64.019999999999996 108.387 171.794 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.302 -0.258 . . . . 71.329999999999998 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.45 -7.94 0.1 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.184 0.594 . . . . 72.040000000000006 111.919 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.405 ' HA3' ' O ' ' A' ' 27' ' ' PHE . . . -158.76 60.54 0.32 Allowed Glycine 0 C--N 1.353 1.518 0 C-N-CA 121.622 -0.323 . . . . 50.030000000000001 112.709 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -70.68 -28.19 64.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.484 0.713 . . . . 73.510000000000005 112.145 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 6.37 17.49 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.58 -0.736 . . . . 71.200000000000003 111.088 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 75.349999999999994 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.150000000000006 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.702 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 64.530000000000001 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.439999999999998 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.694 HG12 HD22 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 72.230000000000004 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.47 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 73.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.69 HG23 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.420000000000002 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.453 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 61.130000000000003 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t -103.25 -77.82 0.56 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.240000000000002 109.55 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.76 -20.25 19.73 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.404 0.44 . . . . 74.430000000000007 112.622 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.39 41.02 2.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.595 1.558 . . . . 75.519999999999996 111.376 -173.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.52 42.21 3.28 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.196 -0.911 . . . . 70.25 111.095 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 78.0 -39.12 0.27 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.702 1.371 . . . . 74.409999999999997 114.702 167.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -62.76 -29.01 70.37 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.855 0.862 . . . . 64.040000000000006 112.405 -172.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.58 148.79 27.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.483 1.113 . . . . 73.420000000000002 110.75 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -132.98 160.35 37.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.791 0.436 . . . . 74.230000000000004 110.849 -158.123 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 70.420000000000002 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.456 ' HE2' HG23 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.420000000000002 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.430000000000007 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.702 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.099999999999994 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.420000000000002 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.405 ' O ' ' HA3' ' A' ' 3' ' ' GLY . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.310000000000002 110.343 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.140000000000001 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 75.099999999999994 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 74.120000000000005 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 74.420000000000002 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.049999999999997 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 64.299999999999997 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.417 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 74.430000000000007 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.540000000000006 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.539 HD11 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 63.229999999999997 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.417 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 74.409999999999997 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.454 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 74.329999999999998 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.539 ' HD2' HD11 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 75.030000000000001 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.509 HG11 HG23 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 74.549999999999997 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 73.400000000000006 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 72.239999999999995 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.5 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.404 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 75.510000000000005 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.519999999999996 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.438 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.299999999999997 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.69 ' HG2' HG23 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 73.219999999999999 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.76 HG22 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 65.340000000000003 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.099999999999994 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.438 ' HG2' ' O ' ' A' ' 46' ' ' ASP . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.549999999999997 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.120000000000005 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 75.409999999999997 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.627 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.549999999999997 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.532 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 72.510000000000005 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.453 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 71.030000000000001 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.487 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.329999999999998 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.47 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.310000000000002 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.510000000000005 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 74.150000000000006 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.427 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 75.409999999999997 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.329999999999998 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.552 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.510000000000005 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.452 ' HB2' ' HZ2' ' A' ' 63' ' ' LYS . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.239999999999995 111.469 -179.186 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.413 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.349999999999994 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.340000000000003 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 74.519999999999996 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 65.400000000000006 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.319999999999993 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.109999999999999 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 71.299999999999997 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 74.140000000000001 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 75.299999999999997 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.120000000000005 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.219999999999999 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.401 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.329999999999998 111.175 -176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 73.310000000000002 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.409999999999997 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.329999999999998 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.420000000000002 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 74.109999999999999 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.349999999999994 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.430000000000007 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.530000000000001 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.119999999999997 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 73.329999999999998 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.465 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.329999999999998 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.76 ' HG ' HG22 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.230000000000004 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.149999999999999 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.439999999999998 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.420000000000002 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.510000000000005 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.451 ' HB3' HG23 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.439999999999998 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.040000000000006 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.219999999999999 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.439999999999998 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.409999999999997 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.209999999999994 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 61.25 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 72.409999999999997 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.450000000000003 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.510000000000005 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.120000000000005 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.319999999999993 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.340000000000003 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.451 HG23 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.519999999999996 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.040000000000006 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.532 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 73.030000000000001 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 72.510000000000005 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.44 67.51 9.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -7.91 41.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.087 -1.415 . . . . 71.439999999999998 111.056 170.119 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -51.7 -41.42 61.46 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.193 1.397 . . . . 71.040000000000006 111.022 166.129 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -89.26 -6.65 56.62 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.791 0.663 . . . . 74.439999999999998 112.791 -171.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -136.67 -170.24 2.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 73.25 109.343 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -89.78 165.85 13.91 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.38 -0.6 . . . . 74.340000000000003 109.38 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -86.73 -173.89 4.71 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.297 0.639 . . . . 75.540000000000006 111.076 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 123.803 0.841 . . . . 74.299999999999997 109.505 -177.949 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.655 -0.869 . . . . 72.209999999999994 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.01 93.03 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.56 0.744 . . . . 52.009999999999998 109.523 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.42 54.05 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.845 -0.616 . . . . 72.230000000000004 113.414 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 68.4 166.27 0.25 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.27 1.211 . . . . 70.120000000000005 114.27 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -111.75 115.68 29.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.672 -1.604 . . . . 73.5 110.499 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.627 HD23 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 75.040000000000006 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 72.420000000000002 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.510000000000005 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.549999999999997 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.479 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.200000000000003 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.578 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.310000000000002 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.040000000000006 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.530000000000001 109.394 178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.534 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m -124.91 -73.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.039999999999999 109.691 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.65 29.33 6.37 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.055 0.36 . . . . 75.129999999999995 113.09 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.503 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 28.5 p-10 -163.92 141.8 7.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 71.25 110.756 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.31 -54.98 1.03 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.904 0.881 . . . . 63.439999999999998 108.757 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.09 67.12 4.72 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.261 -1.014 . . . . 74.430000000000007 108.261 172.285 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.503 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 53.4 tttp 169.1 90.83 0.0 OUTLIER 'General case' 0 C--O 1.244 0.764 0 C-N-CA 126.053 1.741 . . . . 75.109999999999999 106.54 -171.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.09 119.78 10.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.766 0.426 . . . . 73.530000000000001 110.841 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m -121.73 104.45 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.099 -0.704 . . . . 71.430000000000007 109.099 170.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.479 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 73.099999999999994 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.329999999999998 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 63.450000000000003 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.41 HD12 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.129999999999995 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 73.450000000000003 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.627 ' HB2' HD23 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.530000000000001 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 74.049999999999997 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.439999999999998 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.493 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.409999999999997 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.450000000000003 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 53.310000000000002 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 75.319999999999993 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.43 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.450000000000003 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.41 ' HG ' HD12 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.200000000000003 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 74.409999999999997 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.230000000000004 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.43 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 74.209999999999994 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.219999999999999 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.403 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 62.020000000000003 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.019999999999996 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.467 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.340000000000003 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.209999999999994 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.611 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 70.109999999999999 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.109999999999999 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.467 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 71.450000000000003 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.611 HD13 ' HA ' ' A' ' 45' ' ' ALA . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.420000000000002 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 72.450000000000003 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.420000000000002 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 65.420000000000002 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.416 ' HA2' HG22 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.219999999999999 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.534 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.209999999999994 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.592 ' HB3' ' HZ1' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 74.019999999999996 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.239999999999995 108.853 176.6 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.319999999999993 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.578 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.230000000000004 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.526 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.450000000000003 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 75.109999999999999 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.129999999999995 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.437 ' HG2' HG23 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.230000000000004 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 71.230000000000004 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 73.519999999999996 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.350000000000001 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.329999999999998 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.010000000000005 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.450000000000003 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.412 ' HB3' HD21 ' A' ' 6' ' ' LEU . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.209999999999994 112.292 -177.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.510000000000005 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 74.040000000000006 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.299999999999997 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 75.129999999999995 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.319999999999993 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 75.0 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 60.25 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.319999999999993 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' HB3' HD13 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 74.010000000000005 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 73.340000000000003 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 72.299999999999997 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.420000000000002 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.521 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.319999999999993 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.403 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 75.430000000000007 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 51.340000000000003 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.450000000000003 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.521 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.239999999999995 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.591 HD13 HD12 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.109999999999999 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.530000000000001 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.099999999999994 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.455 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.120000000000005 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.210000000000001 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 74.310000000000002 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.340000000000003 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 72.239999999999995 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 73.209999999999994 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 72.319999999999993 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 55.310000000000002 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.150000000000006 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.299999999999997 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.437 HG23 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.129999999999995 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.409999999999997 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 75.430000000000007 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.526 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.430000000000007 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 73.409999999999997 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 71.019999999999996 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.455 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 63.439999999999998 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.329999999999998 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 74.5 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.523 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp -109.29 53.55 0.68 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 73.439999999999998 110.147 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.5 -44.69 93.6 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.738 -0.838 . . . . 71.430000000000007 108.738 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -82.63 81.53 8.37 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.58 -1.191 . . . . 71.409999999999997 107.943 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -62.16 126.5 27.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.149 -0.932 . . . . 63.420000000000002 111.229 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.9 t60 63.13 13.49 6.87 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.475 1.11 . . . . 74.219999999999999 112.453 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -71.71 89.94 1.04 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.032 -0.729 . . . . 73.329999999999998 109.032 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -106.12 -27.14 11.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.573 1.149 . . . . 75.049999999999997 110.578 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 124.62 1.168 . . . . 72.430000000000007 109.928 -175.145 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.995 -0.372 . . . . 65.409999999999997 109.995 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 99.4 4.47 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.997 0.519 . . . . 73.430000000000007 110.042 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.61 106.76 2.07 Favored Glycine 0 C--N 1.343 0.968 0 O-C-N 123.82 0.7 . . . . 64.150000000000006 111.916 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -69.21 155.26 40.7 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.252 0.621 . . . . 73.129999999999995 109.438 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.83 27.38 0.46 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.430000000000007 113.244 -166.786 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.230000000000004 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 73.049999999999997 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.726 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 74.349999999999994 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 74.340000000000003 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.55 HG12 HD22 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.340000000000003 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 74.409999999999997 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.400000000000006 107.774 173.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.519999999999996 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.9 162.96 34.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 72.519999999999996 110.654 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.14 58.14 0.58 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 110.918 -0.873 . . . . 73.219999999999999 110.918 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -132.19 32.27 4.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.544 0.737 . . . . 71.549999999999997 110.653 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t70 67.01 6.24 4.59 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.498 0.719 . . . . 65.230000000000004 111.167 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.59 -25.31 59.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.956 0.902 . . . . 73.439999999999998 111.675 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.401 ' HG2' ' N ' ' A' ' 20' ' ' GLU . 24.3 ttmm 71.95 174.52 0.29 Allowed 'General case' 0 CA--C 1.557 1.244 0 O-C-N 124.955 1.41 . . . . 62.340000000000003 108.911 -166.732 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . 0.401 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 10.2 pt-20 -59.13 118.0 5.37 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 108.865 -0.791 . . . . 72.25 108.865 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p -119.83 105.2 10.88 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 74.340000000000003 108.68 -175.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 75.519999999999996 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.439999999999998 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 73.239999999999995 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.726 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.420000000000002 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.310000000000002 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.129999999999995 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.340000000000003 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.540000000000006 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 74.439999999999998 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 60.109999999999999 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.219999999999999 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.439999999999998 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 75.439999999999998 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 71.219999999999999 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.473 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 65.310000000000002 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.441 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 75.420000000000002 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.340000000000003 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.423 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 73.200000000000003 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.400000000000006 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 72.329999999999998 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.030000000000001 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.423 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 75.430000000000007 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.219999999999999 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.520000000000003 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.430000000000007 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.150000000000006 111.667 -177.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.477 HG22 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.040000000000006 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.140000000000001 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.239999999999995 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.209999999999994 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.467 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 64.329999999999998 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.417 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 74.219999999999999 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.430000000000007 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 65.349999999999994 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.409999999999997 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.409999999999997 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 74.230000000000004 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.230000000000004 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.428 ' CD1' HG23 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 73.200000000000003 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 70.409999999999997 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 74.540000000000006 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 71.230000000000004 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.129999999999995 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.533 ' HB2' ' HB2' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 73.530000000000001 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.230000000000004 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.549999999999997 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . 0.533 ' HB2' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.109999999999999 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.340000000000003 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 74.439999999999998 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.329999999999998 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.444 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 74.219999999999999 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.441 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.530000000000001 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.129999999999995 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 72.209999999999994 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.439999999999998 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 75.340000000000003 111.072 179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.329999999999998 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 73.230000000000004 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.530000000000001 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.230000000000004 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 74.109999999999999 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.449 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.140000000000001 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.498 ' HB3' HD22 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.319999999999993 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.430000000000007 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.489 ' HB3' HD21 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 74.299999999999997 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.310000000000002 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 70.430000000000007 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.219999999999999 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 74.439999999999998 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.426 HG22 HG21 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.420000000000002 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.439999999999998 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.400000000000006 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 74.120000000000005 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.019999999999996 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 73.530000000000001 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.510000000000005 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.426 HG21 HG22 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.409999999999997 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 72.209999999999994 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.219999999999999 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 70.439999999999998 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.489 HD21 ' HB3' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.109999999999999 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 71.010000000000005 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.498 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp -110.24 -5.06 15.39 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.86 82.02 0.91 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.465 0.706 . . . . 73.540000000000006 110.859 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -136.79 1.71 2.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.733 0.813 . . . . 73.230000000000004 110.095 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -80.06 68.53 6.22 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.834 0.826 . . . . 75.099999999999994 108.959 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.2 p80 173.17 159.41 0.12 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.659 1.983 . . . . 73.530000000000001 107.124 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.6 t60 73.26 3.85 4.72 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 124.198 0.999 . . . . 72.439999999999998 111.955 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -61.15 -38.62 87.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.181 0.992 . . . . 71.099999999999994 110.326 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 115.294 -0.866 . . . . 74.439999999999998 108.689 171.721 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.099 -0.704 . . . . 74.150000000000006 109.099 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.449 ' HB2' ' HB2' ' A' ' 5' ' ' GLU . . . -132.41 -29.53 1.57 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.691 0.796 . . . . 73.329999999999998 111.59 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.15 -71.72 0.46 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 111.324 -0.71 . . . . 73.209999999999994 111.324 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.676 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -73.73 74.85 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 122.333 1.064 . . . . 74.239999999999995 108.333 166.564 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.449 ' HB2' ' HB2' ' A' ' 2' ' ' ALA . 48.2 tt0 -148.61 125.68 11.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 114.746 -1.115 . . . . 62.530000000000001 110.574 -164.013 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.409999999999997 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.739 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.549999999999997 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.010000000000005 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.505 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.219999999999999 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.400000000000006 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.811 HG23 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 75.230000000000004 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.530000000000001 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t -171.1 -53.95 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.010000000000005 108.511 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.52 59.55 0.04 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.764 -0.934 . . . . 70.439999999999998 110.764 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.432 HD22 HG21 ' A' ' 21' ' ' THR . 16.4 m120 -90.44 68.21 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.633 0.73 . . . . 75.120000000000005 111.268 -171.077 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.53 -38.92 58.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.92 -1.036 . . . . 72.129999999999995 108.475 168.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -126.11 152.98 45.18 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.32 -1.309 . . . . 72.549999999999997 108.795 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 67.63 103.33 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.978 1.311 . . . . 73.109999999999999 111.778 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.39 117.66 18.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.592 -0.892 . . . . 75.299999999999997 108.592 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' THR . . . . . 0.432 HG21 HD22 ' A' ' 16' ' ' ASN . 5.0 t -103.45 106.4 16.9 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 74.310000000000002 109.609 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' THR . . . . . 0.505 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.299999999999997 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.439999999999998 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.409999999999997 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.739 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 74.310000000000002 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.310000000000002 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB1' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.510000000000005 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 73.409999999999997 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.040000000000006 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 73.299999999999997 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.439999999999998 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 71.439999999999998 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB1' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.230000000000004 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 74.540000000000006 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.407 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.400000000000006 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.553 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.140000000000001 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 74.109999999999999 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.209999999999994 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.553 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.430000000000007 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 71.319999999999993 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HA ' HD12 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 72.109999999999999 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 72.219999999999999 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.479 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.439999999999998 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.209999999999994 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.578 ' HA ' HD13 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.230000000000004 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.310000000000002 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.811 ' HG3' HG23 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.430000000000007 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.693 HD12 HD12 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.120000000000005 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.559 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 63.539999999999999 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 74.439999999999998 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . 0.426 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.420000000000002 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.461 ' HA2' HG21 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 61.229999999999997 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.434 ' SG ' HD11 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.450000000000003 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 75.140000000000001 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.219999999999999 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.349999999999994 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 74.519999999999996 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 75.510000000000005 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 75.129999999999995 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.486 ' HD1' HG13 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.430000000000007 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.329999999999998 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.433 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 73.319999999999993 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.655 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.219999999999999 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.399999999999999 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.510000000000005 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.420000000000002 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 75.019999999999996 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . 0.424 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 75.030000000000001 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.200000000000003 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 72.099999999999994 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 73.430000000000007 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.424 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 74.209999999999994 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.530000000000001 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.449 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.040000000000006 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . 0.466 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.409999999999997 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 74.239999999999995 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.219999999999999 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.329999999999998 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.466 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.409999999999997 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.349999999999994 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.140000000000001 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 74.150000000000006 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.418 ' HD2' ' HB2' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 74.420000000000002 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 74.430000000000007 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 74.120000000000005 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 72.549999999999997 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.450000000000003 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.693 HD12 HD12 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.239999999999995 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.530000000000001 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . 0.412 ' HB2' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.120000000000005 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.219999999999999 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 75.510000000000005 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.120000000000005 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.140000000000001 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.439999999999998 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.439999999999998 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 73.450000000000003 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.239999999999995 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.340000000000003 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.655 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.120000000000005 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 74.540000000000006 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.449 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.409999999999997 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.040000000000006 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 74.329999999999998 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 74.120000000000005 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.475 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 74.239999999999995 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.209999999999994 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.434 HD11 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 74.329999999999998 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.230000000000004 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.53 129.39 52.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.400000000000006 110.403 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -9.34 58.24 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.922 0.489 . . . . 74.439999999999998 110.681 172.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -68.27 108.56 3.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.551 0.74 . . . . 74.319999999999993 110.148 167.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -146.84 114.02 6.22 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.688 0.795 . . . . 61.310000000000002 109.296 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -88.35 57.27 4.17 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.825 -0.806 . . . . 71.319999999999993 108.825 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -167.53 100.4 0.49 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.551 -0.907 . . . . 74.5 108.551 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -74.05 145.46 44.46 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.126 -0.694 . . . . 73.430000000000007 109.126 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 122.984 0.514 . . . . 71.340000000000003 110.282 -175.518 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.012 -0.366 . . . . 74.510000000000005 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 139.64 57.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.674 0.789 . . . . 75.230000000000004 112.229 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.08 47.22 3.73 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 123.503 0.502 . . . . 73.310000000000002 112.888 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -71.91 -45.51 60.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.456 0.703 . . . . 73.129999999999995 109.967 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.58 157.48 27.34 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.435 -0.802 . . . . 71.239999999999995 109.869 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.525 HD13 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 75.109999999999999 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' VAL . . . . . 0.685 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.329999999999998 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.239999999999995 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . 0.42 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 75.150000000000006 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 75.140000000000001 109.868 -177.481 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.310000000000002 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.219999999999999 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.54 39.27 1.13 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 70.420000000000002 109.505 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 11.98 80.83 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.662 -0.699 . . . . 64.430000000000007 112.3 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . 0.627 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 18.9 p-10 -86.17 89.23 7.77 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.644 0.778 . . . . 73.340000000000003 110.591 -172.61 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -77.44 -39.69 45.96 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.542 -0.753 . . . . 71.030000000000001 109.852 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.84 38.27 1.77 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.392 1.077 . . . . 55.509999999999998 110.837 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.627 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 22.1 tptm -155.9 125.83 6.5 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.97 0.508 . . . . 73.239999999999995 109.678 173.548 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 119.41 25.01 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 121.597 0.713 . . . . 73.409999999999997 109.297 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 94.9 m -115.51 106.64 14.18 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 74.319999999999993 107.781 175.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.209999999999994 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 74.099999999999994 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 74.140000000000001 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.685 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.549999999999997 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 74.340000000000003 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.525 ' HB3' HD13 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 71.299999999999997 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 65.439999999999998 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 64.209999999999994 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 75.299999999999997 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.239999999999995 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 61.119999999999997 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.010000000000005 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLU . . . . . 0.459 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.510000000000005 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.679 ' HB3' HD21 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.150000000000006 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.423 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.109999999999999 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 73.25 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.459 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 74.340000000000003 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.42 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.519999999999996 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.129999999999995 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 71.430000000000007 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . 0.448 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 74.209999999999994 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.425 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 65.239999999999995 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 64.319999999999993 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.209999999999994 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.549 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.593 HG22 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 73.439999999999998 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.329999999999998 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 75.230000000000004 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.319999999999993 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.230000000000004 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.549 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 74.349999999999994 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.120000000000005 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.299999999999997 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.450000000000003 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 72.340000000000003 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 64.450000000000003 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.340000000000003 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' PHE . . . . . 0.452 ' CD1' HG13 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.099999999999994 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.109999999999999 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LYS . . . . . 0.658 ' HB3' ' HZ1' ' A' ' 62' ' ' LYS . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.299999999999997 109.286 -177.201 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.682 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 71.400000000000006 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.556 ' H ' HD13 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.450000000000003 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 71.409999999999997 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.129999999999995 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.140000000000001 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.420000000000002 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.439 ' HB2' HD12 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 75.099999999999994 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.239999999999995 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.230000000000004 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.420000000000002 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.140000000000001 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.530000000000001 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 73.430000000000007 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.409999999999997 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 74.409999999999997 110.592 175.104 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 74.340000000000003 111.866 -175.311 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 75.409999999999997 109.38 171.09 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.129999999999995 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.420000000000002 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.109999999999999 108.865 -179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.109999999999999 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.209999999999994 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.230000000000004 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.25 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.593 ' HG ' HG22 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 75.340000000000003 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.310000000000002 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.420000000000002 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.439999999999998 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLN . . . . . 0.455 ' HG3' ' H ' ' A' ' 93' ' ' SER . 8.4 tp60 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 75.219999999999999 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 75.010000000000005 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.209999999999994 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' THR . . . . . 0.468 HG21 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.510000000000005 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.310000000000002 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.310000000000002 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 73.150000000000006 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.310000000000002 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASP . . . . . 0.682 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 75.219999999999999 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 75.530000000000001 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' VAL . . . . . 0.468 HG22 HG21 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.140000000000001 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' VAL . . . . . 0.624 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 73.010000000000005 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ILE . . . . . 0.406 HG23 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 75.420000000000002 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 74.430000000000007 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLU . . . . . 0.406 ' HG3' HG23 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.319999999999993 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' LEU . . . . . 0.529 HD22 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp -96.6 32.11 2.12 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 74.219999999999999 108.92 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.52 70.04 8.31 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.631 1.205 . . . . 75.299999999999997 110.348 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -131.38 43.39 3.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 105.933 -1.877 . . . . 74.430000000000007 105.933 173.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -95.59 25.26 4.63 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 113.742 -1.572 . . . . 75.109999999999999 109.8 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -72.42 141.29 48.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.555 0.742 . . . . 75.109999999999999 109.146 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -60.31 123.94 18.79 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.525 0.73 . . . . 72.340000000000003 111.546 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -67.3 134.61 51.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 75.219999999999999 111.913 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.197 1.399 . . . . 75.230000000000004 107.809 167.801 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.242 0.661 0 N-CA-C 109.475 -0.565 . . . . 72.43 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 62.5 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.3 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.601 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 72.34 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 64.11 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.645 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 54.5 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 73.41 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.52 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.21 108.319 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 55.31 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.24 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 73.34 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.51 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.52 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.54 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 70.2 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.43 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 54.05 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 71.53 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.12 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 64.25 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 63.13 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD13 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 74.2 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 70.12 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 72.41 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HD3' HD13 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 71.41 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 61.1 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.11 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.54 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 65.22 112.194 -172.348 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.03 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 63.15 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.32 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.45 110.163 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.31 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.24 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 72.54 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.34 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.32 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.57 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.11 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 71.25 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.43 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.53 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.15 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 62.43 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 71.32 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.42 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 63.41 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 51.45 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 51.13 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.43 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 62.54 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.4 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.35 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.53 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 64.25 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 72.23 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 72.04 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.15 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.11 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 70.31 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.53 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 73.54 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 63.23 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.54 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 63.44 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 54.24 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 65.42 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.43 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.1 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.34 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 60.23 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 72.01 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 45.21 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.33 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 63.14 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.12 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.33 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.41 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.22 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 74.43 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.44 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.22 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.34 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.4 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.05 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.35 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.04 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 64.5 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.01 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 65.54 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 70.13 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 71.41 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 72.25 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.11 110.048 -171.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.828 -0.434 . . . . 63.11 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.4 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 74.22 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 53.33 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.54 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 63.05 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.33 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 64.11 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.05 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 73.24 110.102 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.31 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 71.21 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.1 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 72.42 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 62.15 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 62.14 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.32 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.4 110.584 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.33 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.04 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 72.32 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 45.41 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 72.11 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.53 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 64.2 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 61.32 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.15 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 54.34 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 63.33 110.352 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.05 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.13 111.197 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 42.05 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.33 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 43.11 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.14 111.013 174.625 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.12 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.5 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.02 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 73.33 111.191 177.855 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.31 111.141 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 61.13 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 42.41 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.02 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.31 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.4 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.43 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.01 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 51.14 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.42 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG22 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 71.05 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.12 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 55.1 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 71.43 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.34 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.04 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 71.25 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.42 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 51.25 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 33.54 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.23 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 64.11 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 64.33 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 61.42 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 45.14 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.24 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.11 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 44.44 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.2 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 62.11 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 61.44 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.41 111.501 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 74.43 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 64.03 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.1 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.53 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 54.33 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 63.54 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 32.4 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.41 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.01 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 71.31 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' HG13 ' A' ' 106' ' ' VAL . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 44.23 111.495 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 54.03 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 60.13 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' THR . . . . . 0.417 HG22 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.15 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.15 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.31 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.1 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.41 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.417 ' HE1' HG22 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 71.42 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 54.24 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.44 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.33 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 73.51 107.741 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.02 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.555 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 42.34 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.4 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 71.03 109.25 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 36.2 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 121.543 0.687 . . . . 65.14 111.909 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.42 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 70.32 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 63.01 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.22 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.02 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.34 109.021 -173.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 73.02 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.4 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p . . . . . 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 30.23 109.891 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.33 106.97 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.45 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.51 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 45.44 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.708 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.14 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.21 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 72.51 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 65.32 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 73.53 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.33 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 64.43 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.31 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 63.13 111.387 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.41 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.708 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 54.52 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 34' ' ' LYS . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 72.41 110.624 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 65.11 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.42 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 54.51 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 51.13 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.13 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 54.2 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.23 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 61.42 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.53 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.15 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.74 HD13 HD11 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.33 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 74.11 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 54.2 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 3.8 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.2 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 64.05 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 70.01 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.13 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 70.33 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.31 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 72.03 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.41 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.53 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.13 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 73.03 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 72.53 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.14 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.3 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 65.51 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 71.13 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.04 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 65.43 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 70.11 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 53.02 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.24 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 71.12 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.44 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 63.3 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 61.53 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 72.01 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.15 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 61.01 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.44 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.33 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 71.11 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 72.1 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 71.44 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.52 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.05 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 70.44 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.35 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.23 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.52 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 55.21 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 72.22 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 74.33 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.56 ' HB2' HG13 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 64.13 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 64.21 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 73.34 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 54.34 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 71.13 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 63.51 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.2 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 54.54 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 54.02 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 63.32 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.772 HG22 HG23 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.54 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 60.54 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 72.02 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 71.02 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.22 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 64.41 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.12 110.321 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 63.43 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.14 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 55.11 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 73.32 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.35 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 61.35 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 64.33 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 52.21 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.31 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 63.24 112.127 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 107.89 -1.152 . . . . 61.4 107.89 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 60.45 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.41 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 72.24 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.11 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 64.23 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.33 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 64.3 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.02 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.31 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 62.33 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.11 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 71.44 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 62.14 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.3 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.54 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 62.42 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.54 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.44 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.43 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 70.24 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 73.22 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.31 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.33 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.32 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 70.12 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 44.45 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 52.41 113.699 -168.593 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 62.21 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.14 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG13 HD13 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.12 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 72.23 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 55.42 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.579 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 64.32 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 70.4 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 55.23 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.559 ' HA ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 70.31 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 60.43 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.13 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.01 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 73.42 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.11 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.45 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 51.13 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 73.44 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.35 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 70.3 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.52 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 72.43 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 70.15 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 72.22 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.32 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.13 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.432 HG22 ' HG ' ' A' ' 37' ' ' LEU . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.33 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.55 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 73.34 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 65.21 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 63.32 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.23 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 71.1 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.43 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.21 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.14 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 72.33 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.34 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.15 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.11 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.54 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 71.44 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 64.01 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 73.52 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 64.2 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.45 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 72.5 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.471 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 50.3 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.579 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 71.21 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.1 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 50.33 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.15 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.05 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 70.2 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 71.2 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.54 109.1 176.193 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.539 0.209 . . . . 70.22 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 52.52 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 72.5 109.594 -172.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' PHE . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 64.5 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 71.15 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 72.02 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.22 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.35 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.43 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.4 109.355 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.42 108.585 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 71.34 109.327 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 62.21 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.34 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 72.22 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.41 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.54 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.45 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 71.33 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.31 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.43 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 53.34 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.454 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 65.43 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.44 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.42 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 64.33 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.22 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.34 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.31 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 71.12 112.042 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.32 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 74.43 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 45.25 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 53.33 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.02 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 61.34 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 72.05 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 64.42 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 61.3 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.03 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 41.13 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.33 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.15 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 54.32 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 72.12 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 71.54 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.11 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.44 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.03 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.01 109.71 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.1 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 72.21 109.843 -166.22 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 63.44 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 74.41 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 70.34 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.14 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 72.34 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 61.02 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HB2' HD13 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.42 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 72.52 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.43 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.4 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.35 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.4 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.54 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.32 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 64.21 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 51.2 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.14 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 60.23 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 70.31 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.44 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 63.51 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.22 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 54.23 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.21 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.22 112.61 167.146 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.15 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.44 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.61 ' HB3' HG13 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 54.1 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.54 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.47 HG22 HG13 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 62.43 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.04 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.22 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.33 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.12 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 64.35 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 72.24 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 72.33 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.11 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.54 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 54.31 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.12 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.4 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 54.13 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.32 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 64.32 107.602 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.972 0.415 . . . . 54.24 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 63.55 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.31 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.44 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.33 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.34 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' OG1' ' A' ' 22' ' ' THR . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 71.4 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.14 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.44 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 64.41 108.682 -178.722 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 47' ' ' LYS . 27.8 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.045 -0.354 . . . . 73.03 110.045 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.421 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.53 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.703 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.12 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.33 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 73.41 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.05 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.44 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.52 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 73.52 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 44.25 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 60.33 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 71.42 111.508 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.42 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.21 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.22 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 65.04 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 52.33 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.43 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 60.12 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' LEU . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 65.14 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 53.44 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 71.01 111.744 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 71.24 109.51 174.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 61.32 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 54.14 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 51.02 110.571 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.14 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.21 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 71.24 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 14.03 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 73.01 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.33 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.54 109.7 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 62.03 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 65.0 109.379 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.4 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.13 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.22 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.54 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.34 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.32 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 64.44 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 65.03 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.3 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.32 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.22 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 52.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.15 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.15 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.43 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.54 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 71.4 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.45 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 65.14 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.13 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.43 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 73.12 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.31 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 61.03 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 44.34 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 62.13 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 60.32 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 71.24 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.35 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.35 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 64.31 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 63.12 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 41.44 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 63.14 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 72.33 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 64.42 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 71.55 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 65.21 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.14 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.32 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.13 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.12 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 63.45 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.31 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.34 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.14 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 52.23 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.34 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.41 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 45.13 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 73.12 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 53.35 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp . . . . . 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.3 107.712 172.024 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.575 0.226 . . . . 75.2 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 HD23 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.32 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.04 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 63.55 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 61.21 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 61.11 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.42 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.44 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.41 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.24 112.218 -178.151 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 53.04 108.065 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 72.44 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 72.23 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 62.24 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 72.43 108.011 -179.09 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 64.12 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.523 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 53.41 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 61.34 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 64.44 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.34 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.32 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.13 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.45 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 73.14 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.34 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 72.03 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.0 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 71.44 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 71.31 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 65.45 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.44 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 72.12 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 62.04 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 54.33 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 74.35 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.573 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 70.21 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 72.3 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.12 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.22 110.1 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.52 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.13 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 72.31 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.11 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 64.42 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.51 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 62.21 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 71.04 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.11 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.22 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 61.31 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 62.32 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.14 113.14 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.42 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 60.42 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 64.4 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 71.55 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 55.14 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 61.53 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.51 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 61.43 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 54.31 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 65.24 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.11 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 73.14 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.43 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 71.23 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 64.34 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.42 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 54.3 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.12 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.34 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 72.15 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.41 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.01 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 74.21 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 62.24 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 63.4 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 70.22 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 71.14 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 62.03 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.54 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.01 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.448 HG22 HG13 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.44 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 55.34 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.51 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.2 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 65.31 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.34 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.21 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.3 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.41 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 74.33 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.41 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.25 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 72.21 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.33 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 90' ' ' ALA . 4.2 mp . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 52.43 109.411 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.21 108.58 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 70.2 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.11 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 54.32 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.04 108.392 -167.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 62.42 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.52 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.34 110.635 -173.17 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.132 0.419 . . . . 64.42 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.34 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 63.42 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 73.43 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.624 ' HG ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.52 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.44 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.43 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.51 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.55 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 51.53 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.11 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.53 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.14 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 73.13 110.607 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.01 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 62.1 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 72.14 110.941 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 51.53 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 54.31 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 65.31 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.23 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.31 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 65.03 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.35 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 30.22 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.42 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.42 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 44' ' ' ALA . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 65.42 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.11 109.752 175.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 71.44 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.34 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.15 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.44 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.41 113.566 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 72.03 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 62.22 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 73.2 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 54.21 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HD1' HG12 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.41 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 61.51 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 73.41 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 63.02 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.22 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 71.42 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.33 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.35 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.32 110.961 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HB2' HD13 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.52 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.44 110.893 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.12 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 60.34 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 65.21 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.4 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.45 111.18 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.34 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 63.43 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 65.44 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 76' ' ' TRP . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.11 109.078 173.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.21 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 65.31 110.96 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.52 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' CG2' HD11 ' A' ' 108' ' ' LEU . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 61.11 110.427 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.31 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD22 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 71.51 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 70.33 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 35.42 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 45.32 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 61.13 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 74.12 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.23 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 55.42 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.12 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 70.43 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 64.52 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 65.34 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.21 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.45 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 70.14 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.52 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 64.25 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 71.14 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 61.25 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 62.43 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 84' ' ' ILE . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 73.02 110.058 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.42 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 63.33 110.398 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 120.898 0.38 . . . . 74.23 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.34 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 74.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.34 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 64.22 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.12 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 74.33 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.01 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.45 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 49.0 t . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.45 110.454 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 71.34 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.14 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.41 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 70.43 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.02 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.44 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.01 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 41.32 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.21 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 51.22 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.02 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 51.4 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 51.25 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.14 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.22 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.14 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 64.54 110.476 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 72.33 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.55 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 62.24 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.24 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 72.33 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 63.33 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 53.45 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.744 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.43 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 64.22 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.535 HG23 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.42 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.45 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 72.23 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 51.52 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' HB2' HG12 ' A' ' 48' ' ' ILE . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.15 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.43 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 73.53 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.14 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 72.13 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 10' ' ' ILE . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 72.55 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.52 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 55.31 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 71.14 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 74.51 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.22 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.13 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 71.52 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.02 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.22 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.03 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.03 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.51 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 70.34 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.33 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 42.45 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 54.22 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' VAL . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.14 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.11 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.22 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.43 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.31 109.677 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 65.22 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 71.2 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.24 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.24 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.24 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.41 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.33 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 52.13 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.21 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 72.54 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 62.43 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.24 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.432 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.55 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 71.24 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 63.52 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.52 108.186 168.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 64.33 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.14 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 51.44 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 52.3 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.03 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 74.23 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 72.41 111.618 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 72.12 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.34 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 53.42 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 62.44 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 71.54 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 72.42 109.187 175.658 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 53.15 108.624 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.12 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG22 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 63.32 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 73.12 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG21 HG11 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.11 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 73.54 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.721 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 72.32 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.12 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 60.55 110.76 -175.786 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.259 -0.645 . . . . 61.31 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 63.44 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.11 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 72.41 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.04 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.52 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.55 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.42 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.31 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.35 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.15 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.34 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.11 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 44.2 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.45 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 73.24 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.44 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.21 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 71.21 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG11 HG21 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 52.3 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.4 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.51 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.2 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.31 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 50.12 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.41 111.022 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.721 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 70.02 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.791 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 71.22 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.33 111.681 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.25 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.11 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 41.22 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 64.15 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.43 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 71.15 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 64.53 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.42 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.33 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.32 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 64.12 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.2 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 53.33 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.656 HD11 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.15 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 71.43 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.2 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.24 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 35.21 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.22 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 74.55 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.084 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.52 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.2 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.43 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.41 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 62.24 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.41 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 63.43 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 63.33 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.34 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.23 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 54.13 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.11 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.33 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 71.35 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.13 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 73.51 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 70.43 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 93' ' ' SER . 4.6 tp-100 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.44 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.04 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.43 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.44 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 71.11 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.04 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 35.11 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 61.24 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 71.22 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.42 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.12 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 70.34 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 64.1 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.41 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 64.43 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.44 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 65.45 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.34 107.039 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--O 1.243 0.751 0 CA-C-O 120.803 0.335 . . . . 71.53 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 65.5 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.23 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 64.53 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 61.12 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 72.15 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.32 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 44.01 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.41 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t . . . . . 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.32 109.589 -169.433 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 64.35 109.491 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.31 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 72.22 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 61.34 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.21 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.31 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 73.24 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.33 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 72.51 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.13 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 43.24 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.12 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.05 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 73.55 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.34 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 65.4 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 74.34 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.42 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' HD13 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.44 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.44 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.43 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.23 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 73.13 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 64.32 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.3 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.72 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 61.24 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 61.12 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 70.24 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.35 111.764 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 63.53 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.41 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.72 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.33 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 108' ' ' LEU . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.42 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 72.24 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.32 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.23 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.22 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 63.31 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 62.2 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 71.34 111.679 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 73.11 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 65.14 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.32 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.15 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.21 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.4 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.695 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 64.4 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 64.21 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 62.22 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 41.12 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 71.41 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 53.24 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 74.52 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.3 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.2 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 65.01 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 61.42 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 54.34 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.04 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.507 HG22 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.43 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 60.31 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 65.43 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 73.52 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.23 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 70.23 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.11 109.993 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.31 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 70.15 111.172 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 71.3 112.514 -164.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.44 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 62.43 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 65.1 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 63.51 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.31 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 32.52 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 74.43 109.408 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 52.03 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 40.25 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 54.32 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.436 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.23 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.22 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 73.44 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 70.52 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.507 HD11 HG22 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 65.11 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.34 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? . . . . . 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.35 108.259 171.17 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 112.001 0.371 . . . . 75.33 112.001 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 61.21 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 74.14 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.45 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.52 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 44.22 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.35 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.12 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.12 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 72.3 109.907 175.93 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.21 107.567 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.3 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.24 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.21 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 44.14 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.32 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.44 109.674 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 73.22 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.31 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.04 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 73.12 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.55 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 76' ' ' TRP . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 54.43 111.451 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.638 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.03 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 61.31 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 60.13 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.54 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 71.34 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 84' ' ' ILE . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 65.23 110.684 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 64.12 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 72.2 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.13 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 52.12 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.12 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 62.33 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.34 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.42 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.33 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.22 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 52.23 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 61.24 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 70.32 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.14 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 HD13 ' A' ' 12' ' ' ILE . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.03 106.512 170.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 65.24 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.03 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.44 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.33 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 62.34 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 72.41 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 70.5 112.476 168.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 33.31 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.34 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 55.01 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 54.51 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 73.1 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 63.13 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.33 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 74.41 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.04 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.43 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 64.01 109.737 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.631 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.41 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.02 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 63.11 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.23 111.521 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 65.24 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.12 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.11 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 51.35 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.433 HD11 HG12 ' A' ' 40' ' ' VAL . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.21 108.688 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.42 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.51 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 62.34 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 61.52 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.11 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 54.53 112.538 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.34 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.13 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.14 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 72.23 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.33 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.42 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.33 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 70.0 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.01 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 71.41 112.207 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.24 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.465 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 72.34 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.44 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 51.53 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.54 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 24.33 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 44.25 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.42 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 55.11 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 72.25 108.681 177.501 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 CA--C 1.559 1.324 0 N-CA-C 112.561 0.578 . . . . 74.03 112.561 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.35 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.14 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.15 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.34 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.24 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.33 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 53.24 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 20.8 p . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.02 108.953 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 120.971 0.415 . . . . 64.23 110.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 71.33 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.23 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.3 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.671 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.21 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 61.35 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.518 ' HB2' HD22 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.12 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.35 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.34 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.23 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 42.42 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.13 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 61.54 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 70.51 111.533 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.01 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.41 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 71.31 110.999 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.12 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 73.41 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.01 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 62.52 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 64.3 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 30.14 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 63.24 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 51.01 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 73.32 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.7 HD13 HD11 ' A' ' 88' ' ' LEU . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.45 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.45 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 72.31 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 74.22 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 72.45 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 72.24 108.397 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.53 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.22 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 71.14 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 61.14 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.51 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 72.2 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.14 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 65.42 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 63.43 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.13 108.939 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.43 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 71.12 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 55.33 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 64.45 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 51.22 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.55 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 70.33 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 65.33 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 74.31 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 70.22 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 64.01 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 65.01 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.31 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.44 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.44 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 51.12 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.13 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.12 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 70.2 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.22 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.33 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.31 111.817 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.4 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.7 HD11 HD13 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 71.52 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.43 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.12 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 72.12 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.04 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' HG13 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 65.32 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.32 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.1 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 71.51 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 55.22 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.31 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.44 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.33 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 55.42 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.13 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.4 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 45.21 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.33 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.41 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 72.52 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.563 HD11 HG22 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.41 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 62.41 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 62.11 110.696 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.437 -0.579 . . . . 72.24 109.437 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HB1' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 54.42 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.01 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.626 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.24 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.14 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.1 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 62.05 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.35 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.21 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.21 111.201 -167.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.32 108.158 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 64.45 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.45 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.01 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 71.31 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.42 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 62.45 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.11 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 62.45 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.42 109.575 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 72.35 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.35 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 54.1 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 74.33 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.31 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.05 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' HG22 ' A' ' 80' ' ' VAL . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.34 110.026 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 71.14 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 54.44 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.12 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.24 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.43 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 64.11 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 53.14 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 54.14 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.02 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 64.43 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.3 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 63.51 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.22 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 65.13 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 62.23 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.672 ' HB2' HD13 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.15 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 73.52 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.2 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 64.32 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.13 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 62.34 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 63.1 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.31 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 74.54 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 65' ' ' LEU . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.11 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 60.11 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 33.4 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 71.44 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.23 105.544 -170.754 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.54 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.32 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 44.31 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 73.24 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.12 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.42 111.471 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.14 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.34 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 70.14 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.35 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 60.15 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.01 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.44 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG22 ' HG ' ' A' ' 37' ' ' LEU . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 62.41 111.276 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 63.32 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 53.2 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 61.12 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 64.41 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.35 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 52.45 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 61.51 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.51 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.14 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 53.31 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.14 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.01 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.23 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.21 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.45 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 64.24 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 63.42 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.21 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.53 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.24 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.42 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.4 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.11 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 55.03 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.2 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.41 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 61.22 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HG ' HG12 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 62.43 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.01 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.3 108.821 172.555 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.975 0.417 . . . . 73.52 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 43.22 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.22 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.02 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.23 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 64.04 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.01 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 HG13 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 65.53 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.1 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 53' ' ' CYS . 60.2 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.34 112.861 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 71.42 108.271 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.34 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.12 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 52.44 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.32 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.31 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 53.41 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.14 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.34 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.4 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 72.44 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 33.15 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 70.04 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 71.35 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 62.11 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 79' ' ' GLU . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.04 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.35 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.55 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 53.55 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.04 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 53.21 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 70.34 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.2 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.35 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.34 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 73.12 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.14 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.22 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.3 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.51 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.41 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 61.02 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 64.54 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.23 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 60.25 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 64.52 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.43 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.34 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.2 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.23 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.33 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.721 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.43 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 60.41 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.23 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.34 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.31 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 51.35 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.23 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.3 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.13 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.55 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.12 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 74.44 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 70.43 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.34 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 70.45 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.14 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.51 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.34 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 71.15 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 64.42 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.12 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.32 112.002 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 61.41 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.41 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.54 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.04 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.2 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 72.22 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.552 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 71.13 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.44 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.43 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' HG22 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 72.14 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.12 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 73.11 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 61.22 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 63.01 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 60.05 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.44 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.14 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.33 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 65.22 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 70.02 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 55.33 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 63.42 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.757 HD22 ' HB1' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.53 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 71.13 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 88' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.45 108.114 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.487 0.184 . . . . 71.13 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 65.54 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.15 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.696 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 63.43 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.44 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.746 HG12 HD21 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 54.42 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 52.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.42 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 50.41 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t . . . . . 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.24 109.55 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.819 0.342 . . . . 72.11 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 62.22 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HE2' HG22 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.42 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.43 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD21 HG12 ' A' ' 10' ' ' ILE . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.05 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.42 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.31 110.343 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.14 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 55.01 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 65.12 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 65.24 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.05 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 62.23 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 71.2 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.54 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 51.44 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 73.13 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 72.34 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' HD13 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 74.05 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG13 HG21 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 64.42 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 51.2 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 53.25 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.32 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 72.34 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.52 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.3 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.722 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 61.12 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.793 HG21 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 63.15 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.1 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 47' ' ' LYS . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.55 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.12 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 61.15 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.55 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 63.23 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 65.45 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.33 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.31 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.51 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 71.01 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 73.34 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.33 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.51 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.24 111.469 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.35 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.34 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 65.22 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 64.11 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.32 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.11 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 62.35 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 64.35 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 60.35 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.12 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.22 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.33 111.175 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 52.34 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.41 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.33 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.42 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 41.13 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.35 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.43 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.53 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.12 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 63.34 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.33 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.793 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.11 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.15 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.44 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.42 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.51 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.44 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.04 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.22 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.44 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.23 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.21 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 42.24 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 52.43 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.45 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.51 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.04 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.32 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.34 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.52 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.04 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 51.22 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 64.32 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 120.492 0.187 . . . . 73.12 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 71.45 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 70.55 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.51 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.55 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.2 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.13 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.04 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.53 109.394 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.04 109.691 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.099 -0.704 . . . . 71.43 109.099 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 72.15 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.33 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 62.42 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.13 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 71.23 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.53 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 73.51 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.44 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.41 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.45 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 44.04 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 72.33 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.45 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.2 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 65.22 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.23 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 62.04 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.22 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 42.4 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.02 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.22 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.21 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 51.04 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.11 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 64.51 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 88' ' ' LEU . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.42 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 71.33 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.42 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 51.04 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.22 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.12 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 53.14 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.24 108.853 176.6 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.32 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.23 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.45 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 71.55 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.13 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.23 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 64.04 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 63.22 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.35 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.33 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.01 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.45 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.21 112.292 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.51 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 65.12 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.3 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 72.55 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.32 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 73.53 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 52.42 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.32 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 73.31 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 70.52 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 33.21 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.42 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.32 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 63.34 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 50.54 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.45 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.24 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.11 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.53 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.1 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.12 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.21 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 63.23 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.34 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 71.34 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 61.53 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 64.5 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 23.33 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.15 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.3 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.11 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.41 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 73.41 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.43 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 63.44 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 61.14 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 54.42 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.33 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 72.21 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 65.31 110.147 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.43 113.244 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.23 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 72.21 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.718 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 71.04 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 71.5 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 HD21 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.34 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 63.23 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' HD3' ' A' ' 47' ' ' LYS . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.4 107.774 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.52 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 64.04 110.654 -171.098 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 70.41 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 72.15 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.44 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 63.25 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.718 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.42 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.31 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.13 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.34 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.14 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 64.14 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 54.41 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.22 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.44 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 63.34 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 63.54 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 61.0 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 74.33 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.34 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 71.14 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.4 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 54.52 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.03 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.22 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.52 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.43 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 12' ' ' ILE . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.15 111.667 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.04 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.14 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.24 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.21 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 51.12 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 73.12 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.43 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 63.22 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.41 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.41 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 64.34 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.23 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 72.32 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 50.34 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 73.01 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 51.21 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.13 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 63.32 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.12 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.55 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.11 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.34 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 72.5 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.33 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 62.23 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.53 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.13 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 53.33 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.44 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' TRP . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 73.13 111.072 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.33 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 72.24 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.53 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.23 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 53.4 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.14 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.25 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.43 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 71.03 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.31 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 62.41 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.22 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 73.32 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG22 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.42 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.44 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.4 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 62.3 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.02 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 64.43 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.51 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.41 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 53.4 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.22 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 65.45 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.533 HD22 ' HB1' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.11 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 70.33 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.785 0.326 . . . . 62.53 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.41 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.55 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.01 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.22 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.4 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.82 HG21 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 74.33 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.53 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.01 108.511 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.405 HG23 ' HB ' ' A' ' 12' ' ' ILE . 5.0 t . . . . . 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 54.22 109.609 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.3 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.44 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.41 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.76 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 62.14 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.31 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.51 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 62.12 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.04 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 62.01 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.44 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 61.1 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.23 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 72.34 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.4 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.14 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 61.01 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.21 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.43 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 61.11 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 50.33 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 65.42 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.41 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.21 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.23 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.31 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.82 ' HG3' HG21 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.43 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.765 HD13 HD11 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.12 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 61.2 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 73.04 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.42 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 24.4 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.45 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 72.42 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.22 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.35 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 72.43 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 61.34 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 73.43 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' HG12 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.24 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.33 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 71.12 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.12 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.4 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.22 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.42 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 62.35 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 73.21 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.2 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 64.4 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 52.11 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 71.52 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.53 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.0 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.41 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 73.43 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.22 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.33 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.41 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.35 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.14 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 64.35 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 71.21 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 72.24 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 41.11 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 55.33 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.45 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.765 HD11 HD13 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.24 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.53 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.12 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.22 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 74.13 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.12 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.14 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.44 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.44 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 54.41 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.24 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.34 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.12 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 44.24 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.41 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.04 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 63.31 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 45.03 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 61.52 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.21 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 65.41 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.23 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.4 110.403 -178.591 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 109.869 -0.419 . . . . 71.24 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 61.44 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.33 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.24 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 63.34 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' THR . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 53.42 109.868 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.31 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.22 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 64.5 109.505 177.471 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 94.9 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 54.2 107.781 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.21 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 63.02 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 73.05 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.55 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 70.52 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HB3' HD12 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 70.25 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 62.42 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 63.24 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 53.4 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.24 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 51.11 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.01 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.51 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.15 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.11 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 62.34 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 71.35 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.12 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.13 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 62.21 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 72.44 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 63.13 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 52.33 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.21 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 64.35 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.33 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 51.11 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.21 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.23 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 51.15 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.12 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.3 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.45 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 64.22 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 62.11 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.34 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.1 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.11 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.3 109.286 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 65.24 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.45 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 64.02 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.13 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.14 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.42 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 65.33 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.24 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.23 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.42 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.14 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.53 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 43.21 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.41 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 95' ' ' THR . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 64.11 110.592 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 53.42 111.866 -175.311 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 76' ' ' TRP . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 74.41 109.38 171.09 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.13 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.42 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.11 108.865 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.11 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.21 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.03 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.2 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 73.34 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.31 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.42 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.41 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' A' ' 93' ' ' SER . 4.0 tp-100 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 60.31 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 71.03 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.11 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.51 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.31 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.31 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 64.05 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.31 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 61.22 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 72.21 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.14 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 53.31 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ILE . . . . . 0.42 HG22 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 64.11 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 71.53 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG3' HG22 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.32 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 54.11 108.92 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 mtt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.682 -0.859 . . . . 71.14 108.682 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.83 -36.76 0.11 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.115 0.413 . . . . 62.21 112.115 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.05 6.59 51.62 Favored Glycine 0 N--CA 1.475 1.264 0 CA-C-N 116.365 -0.379 . . . . 64.53 112.391 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -75.94 -36.17 59.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.756 1.223 . . . . 72.23 108.942 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.47 127.27 31.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.511 -1.222 . . . . 72.43 109.475 -172.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 62.5 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.3 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.601 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 72.34 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 64.11 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.645 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 54.5 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 73.41 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.52 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t -101.09 32.91 3.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 83.02 0.64 Allowed Glycine 0 C--N 1.353 1.509 0 N-CA-C 109.926 -1.27 . . . . 61.31 109.926 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -60.79 104.62 0.37 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.962 0.905 . . . . 74.31 110.908 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -120.27 -52.43 2.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.753 1.221 . . . . 55.43 110.251 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.23 -70.57 0.58 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.732 -0.667 . . . . 74.43 110.275 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -151.63 146.29 25.71 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.468 0.707 . . . . 64.21 109.768 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -59.72 128.46 37.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.798 0.839 . . . . 73.51 109.773 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -91.81 104.41 16.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.21 108.319 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 55.31 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.24 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 73.34 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.51 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.52 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.54 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 70.2 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.43 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 54.05 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 71.53 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.12 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 64.25 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 63.13 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD13 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 74.2 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 70.12 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 72.41 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HD3' HD13 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 71.41 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 61.1 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.11 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.54 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 65.22 112.194 -172.348 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.03 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 63.15 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.32 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.45 110.163 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.31 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.24 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 72.54 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.34 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.32 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.57 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.11 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 71.25 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.43 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.53 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.15 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 62.43 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 71.32 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.42 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 63.41 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 51.45 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 51.13 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.43 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 62.54 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.4 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.35 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.53 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 64.25 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 72.23 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 72.04 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.15 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.11 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 70.31 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.53 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 73.54 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 63.23 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.54 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 63.44 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 54.24 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 65.42 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.43 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.1 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.34 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 60.23 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 72.01 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 45.21 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.33 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 63.14 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.12 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.33 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.41 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.22 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 74.43 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.44 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.22 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.34 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.4 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.05 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.35 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.04 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 64.5 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.01 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 65.54 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 70.13 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 71.41 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 72.25 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? -134.57 93.04 2.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.11 110.048 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -95.78 -49.53 5.3 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.308 0.643 . . . . 74.13 109.399 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -59.38 104.02 0.23 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 114.733 -1.121 . . . . 73.01 111.736 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 91.9 m-70 -140.74 155.31 46.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.999 0.92 . . . . 65.41 110.041 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.21 40.13 21.93 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.365 1.066 . . . . 74.43 113.026 169.74 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -67.25 100.22 0.78 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 120.944 0.402 . . . . 72.14 110.263 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -127.54 119.93 27.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.229 1.012 . . . . 62.21 108.787 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.556 1.203 0 N-CA-C 108.645 -0.872 . . . . 71.03 108.645 177.733 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.748 ' SD ' ' HB3' ' A' ' 28' ' ' SER . 28.7 ttt . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.388 -0.227 . . . . 74.44 110.388 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.96 -58.79 0.05 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.621 0.768 . . . . 70.25 109.215 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 121.5 0.48 Allowed Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.257 -0.883 . . . . 64.02 112.369 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 tttp 66.32 97.35 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.881 1.273 . . . . 75.42 112.193 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -164.16 -71.68 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.61 0.764 . . . . 63.11 109.828 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.4 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 74.22 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 53.33 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.54 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 63.05 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.33 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 64.11 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.05 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p -76.29 -31.15 58.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 73.24 110.102 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.68 126.39 0.98 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 109.859 -1.296 . . . . 54.04 109.859 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -65.13 87.56 0.07 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.638 0.775 . . . . 75.32 109.992 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -170.56 57.42 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.183 0.993 . . . . 65.15 108.46 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 71.15 -9.77 0.84 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.826 1.65 . . . . 73.11 113.709 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -102.2 18.8 19.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.343 0.657 . . . . 64.23 112.46 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.34 137.18 56.72 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.993 -0.743 . . . . 74.04 108.993 167.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -127.28 121.68 31.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.31 108.952 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 71.21 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.1 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 72.42 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 62.15 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 62.14 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.32 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.748 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.4 110.584 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.33 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.04 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 72.32 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 45.41 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 72.11 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.53 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 64.2 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 61.32 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.15 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 54.34 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 63.33 110.352 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.05 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.13 111.197 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 42.05 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.33 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 43.11 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.14 111.013 174.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.12 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.5 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.02 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 73.33 111.191 177.855 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.31 111.141 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 9.4 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 61.13 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 42.41 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.02 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.31 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.4 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.43 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.01 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 51.14 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.42 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG22 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 71.05 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.12 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 55.1 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 71.43 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.34 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.04 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 71.25 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.42 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 51.25 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 33.54 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.23 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 64.11 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 64.33 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 61.42 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 45.14 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.24 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.11 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 44.44 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.2 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 62.11 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 61.44 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.41 111.501 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 74.43 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 64.03 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.1 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.53 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 54.33 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 63.54 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 32.4 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.41 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.01 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 71.31 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' HG13 ' A' ' 106' ' ' VAL . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 44.23 111.495 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 54.03 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 60.13 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' THR . . . . . 0.417 HG22 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.15 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.15 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.31 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.1 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.41 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' HE1' HG22 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 71.42 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 54.24 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.44 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.33 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 73.51 107.741 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.02 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.555 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 42.34 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.4 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp -99.06 52.76 0.97 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 71.03 109.25 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -78.27 89.44 4.32 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.737 -0.665 . . . . 63.13 109.578 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -125.59 21.07 7.83 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.669 -1.15 . . . . 70.43 109.781 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 m80 66.89 99.73 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.033 1.333 . . . . 73.23 111.946 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -137.89 147.22 44.23 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.583 -1.265 . . . . 72.33 107.583 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -89.45 59.42 4.79 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.537 0.335 . . . . 72.52 110.38 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.5 m170 67.28 -72.12 0.09 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.331 1.452 . . . . 72.41 111.554 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 123.837 0.855 . . . . 70.5 109.271 173.959 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.845 -0.428 . . . . 74.12 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.23 -71.47 0.31 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.966 0.906 . . . . 71.44 110.395 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.7 -128.37 1.22 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 111.193 -0.763 . . . . 72.04 111.193 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 21.2 ttmm -169.05 -162.12 0.35 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 107.36 -1.348 . . . . 73.01 107.36 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.639 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 36.2 mm-40 -59.12 86.41 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.011 0.925 . . . . 65.14 111.909 168.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.42 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 70.32 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 63.01 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.22 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.02 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' ' H ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.34 109.021 -173.535 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 73.02 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.4 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p -106.24 98.37 8.06 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 30.23 109.891 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.51 -65.04 3.47 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.956 -0.565 . . . . 70.24 112.534 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -169.97 84.35 0.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.484 -1.673 . . . . 60.33 106.484 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.1 -54.67 7.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.171 0.588 . . . . 75.3 110.316 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.48 17.76 11.05 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.296 1.038 . . . . 73.23 112.627 172.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -136.54 142.22 43.42 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.72 -0.844 . . . . 63.44 108.72 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.73 116.19 8.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.708 -0.849 . . . . 72.12 108.708 172.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.559 ' H ' ' HE3' ' A' ' 11' ' ' LYS . 63.5 m -124.02 104.43 8.88 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.33 106.97 -177.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.45 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.51 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 45.44 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.708 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.14 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.21 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 72.51 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 65.32 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 73.53 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.33 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 64.43 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.31 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 63.13 111.387 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.41 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.708 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 54.52 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 34' ' ' LYS . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 72.41 110.624 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 65.11 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.42 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 54.51 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 51.13 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.13 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 54.2 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.23 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 61.42 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.53 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.15 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.74 HD13 HD11 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.33 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 74.11 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 54.2 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 3.8 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.2 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 64.05 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 70.01 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.13 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 70.33 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.31 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 72.03 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.41 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.53 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.13 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 73.03 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 72.53 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.14 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.3 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 65.51 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 71.13 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.04 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 65.43 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 70.11 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 53.02 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.24 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 71.12 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.44 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 63.3 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 61.53 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 72.01 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.15 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 61.01 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.44 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.33 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 71.11 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 72.1 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 71.44 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.52 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.05 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 70.44 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.35 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.23 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.52 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 55.21 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 72.22 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 74.33 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.56 ' HB2' HG13 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 64.13 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 64.21 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 73.34 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 54.34 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 71.13 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 63.51 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.2 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 54.54 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 54.02 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 63.32 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.772 HG22 HG23 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.54 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 60.54 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 72.02 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 71.02 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.22 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 64.41 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp -97.29 -25.38 15.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.12 110.321 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 131.02 37.01 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.748 -0.834 . . . . 74.25 108.748 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -90.96 53.9 2.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.022 0.929 . . . . 74.01 109.119 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.99 114.4 11.1 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.616 -1.175 . . . . 74.43 108.527 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -71.12 86.44 0.75 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.122 0.889 . . . . 64.5 111.687 -168.228 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -145.14 82.53 1.66 Allowed 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.716 -1.957 . . . . 65.04 105.716 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -66.33 90.76 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.956 -1.02 . . . . 74.32 110.176 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 125.512 1.525 . . . . 72.13 111.046 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.402 -0.592 . . . . 75.42 109.402 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.54 152.03 26.18 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.166 0.586 . . . . 60.42 110.63 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.12 156.91 12.86 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.755 -0.657 . . . . 64.43 112.28 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -115.52 152.61 32.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.085 -0.709 . . . . 74.52 109.085 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -157.9 86.27 0.9 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 63.43 109.88 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.14 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 55.11 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 73.32 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.35 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 61.35 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 64.33 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 52.21 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.31 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p -82.71 19.61 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 63.24 112.127 -175.341 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.55 -20.39 41.74 Favored Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.767 -0.533 . . . . 73.24 111.767 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -102.48 100.11 10.2 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.407 -0.96 . . . . 75.44 108.407 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.74 -29.58 70.78 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.032 0.933 . . . . 71.32 111.568 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.53 -56.91 13.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.408 0.683 . . . . 61.14 110.707 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -94.17 77.63 4.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.988 0.915 . . . . 61.45 109.374 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.66 117.4 11.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.063 -1.426 . . . . 75.01 109.607 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 p -95.75 104.3 16.21 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 107.89 -1.152 . . . . 61.4 107.89 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 60.45 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.41 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 72.24 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.11 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 64.23 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.33 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 64.3 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.02 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.31 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 62.33 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.11 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 71.44 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 62.14 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.3 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.54 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 62.42 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.54 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.44 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.43 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 70.24 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 73.22 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.31 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.33 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.32 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 70.12 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 44.45 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 52.41 113.699 -168.593 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 62.21 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.14 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG13 HD13 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.12 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 72.23 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 55.42 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 64.32 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 70.4 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 55.23 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.559 ' HA ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 70.31 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 60.43 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.13 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.01 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 73.42 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.11 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.45 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 51.13 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 73.44 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.35 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 70.3 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.52 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 72.43 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 70.15 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 72.22 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.32 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.13 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.432 HG22 ' HG ' ' A' ' 37' ' ' LEU . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.33 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.55 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 73.34 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 65.21 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 63.32 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.23 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 71.1 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.43 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.21 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.14 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 72.33 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.34 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.15 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.11 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.54 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 71.44 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 64.01 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 73.52 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 64.2 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.45 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 72.5 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.471 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 50.3 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.579 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 71.21 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.1 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 50.33 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.15 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.05 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 70.2 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 71.2 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.43 -59.78 2.55 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.54 109.1 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 58.75 7.26 0.73 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.255 1.422 . . . . 73.23 114.162 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -79.66 -7.42 58.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.915 0.886 . . . . 73.14 109.95 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -161.81 65.1 0.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.57 1.148 . . . . 73.1 107.965 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -82.26 81.42 8.16 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.506 -0.77 . . . . 74.24 109.144 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 70.39 117.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.934 1.294 . . . . 74.13 110.705 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -55.26 -39.85 70.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.998 0.919 . . . . 61.45 112.557 -173.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.129 -1.063 . . . . 60.44 108.129 170.396 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.172 -0.307 . . . . 73.31 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 85.38 2.52 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 115.624 -0.716 . . . . 63.44 111.697 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.04 89.9 0.02 OUTLIER Glycine 0 C--N 1.353 1.52 0 O-C-N 124.285 0.991 . . . . 72.3 113.834 173.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HD13 ' A' ' 6' ' ' LEU . 44.9 tptt -149.76 158.1 43.84 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 117.468 0.634 . . . . 62.53 110.728 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -88.74 -4.03 58.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.685 1.194 . . . . 70.22 111.116 -174.225 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 52.52 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 72.5 109.594 -172.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' PHE . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 64.5 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 71.15 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 72.02 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.22 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.35 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.43 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t -155.46 -42.48 0.08 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.4 109.355 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 19' ' ' LYS . . . -78.73 67.97 3.09 Favored Glycine 0 C--N 1.349 1.27 0 CA-C-N 115.038 -0.983 . . . . 65.54 111.56 174.651 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.77 -25.45 68.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.18 0.992 . . . . 65.14 111.475 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.09 70.79 8.0 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.533 1.133 . . . . 72.4 109.878 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 63.51 10.11 4.66 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 125.141 1.376 . . . . 73.12 113.738 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HE3' HG22 ' A' ' 21' ' ' THR . 63.4 tttp -102.25 99.03 9.1 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.013 -1.054 . . . . 72.21 111.052 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.49 117.2 17.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.113 -1.069 . . . . 74.35 108.113 167.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p -99.99 113.75 26.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.42 108.585 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 71.34 109.327 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 62.21 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.34 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 72.22 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.41 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.54 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.45 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 71.33 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.31 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.43 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 53.34 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.454 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 65.43 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.44 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.42 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 64.33 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.22 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.34 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.31 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 71.12 112.042 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.32 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 74.43 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 45.25 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 53.33 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.02 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 61.34 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 72.05 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 64.42 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 61.3 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.03 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 41.13 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.33 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.15 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 54.32 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 72.12 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 71.54 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.11 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.44 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.03 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.01 109.71 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.1 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 72.21 109.843 -166.22 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 63.44 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 74.41 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 70.34 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.14 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 72.34 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 61.02 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HB2' HD13 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.42 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 72.52 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.43 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.4 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.35 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.4 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.54 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.32 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 64.21 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 51.2 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.14 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 60.23 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 70.31 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.44 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 63.51 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.22 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 54.23 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.21 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.22 112.61 167.146 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.15 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.44 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.61 ' HB3' HG13 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 54.1 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.54 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.47 HG22 HG13 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 62.43 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.04 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.22 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.33 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.12 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 64.35 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 72.24 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 72.33 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.11 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.54 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 54.31 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.12 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.4 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 54.13 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.32 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp -110.31 106.16 15.44 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 64.32 107.602 169.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.78 80.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 106.999 -1.482 . . . . 62.43 106.999 164.513 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -60.57 97.57 0.05 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.951 -1.022 . . . . 75.14 108.605 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -23.47 -68.12 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.461 1.904 . . . . 71.44 114.025 -162.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -94.88 94.78 8.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.805 -0.813 . . . . 71.33 108.805 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -123.68 133.78 53.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 107.432 -1.321 . . . . 62.15 107.432 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.61 -36.21 75.99 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.793 0.437 . . . . 74.51 110.454 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 . . . . . 0 C--O 1.259 1.569 0 C-N-CA 124.182 0.993 . . . . 74.52 109.1 176.008 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 32' ' ' GLU . 26.4 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.938 -0.393 . . . . 74.5 109.938 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.67 99.45 1.72 Allowed 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.081 1.352 . . . . 61.54 107.725 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.65 175.53 40.66 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-O 120.031 -0.316 . . . . 55.31 112.49 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt 58.32 83.27 0.12 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.124 0.97 . . . . 72.33 110.893 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -167.87 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.232 -0.44 . . . . 54.24 109.984 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 63.55 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.31 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.44 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.33 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.34 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 71.4 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.14 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.44 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 16' ' ' ASN . 43.0 t -169.15 -51.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 64.41 108.682 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.51 31.59 79.17 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.07 -0.968 . . . . 71.44 112.812 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 28.4 t-20 -62.49 145.96 52.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.548 0.739 . . . . 64.1 109.981 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t70 72.94 -69.5 0.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.903 1.377 . . . . 71.33 108.336 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 173.55 174.38 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.652 1.981 . . . . 52.21 106.654 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 70.32 143.64 0.05 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.675 1.19 . . . . 72.22 112.641 170.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HB2' ' HE2' ' A' ' 11' ' ' LYS . 13.2 pt-20 -78.24 149.49 33.61 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.216 -0.902 . . . . 72.23 110.281 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 47' ' ' LYS . 27.8 m -122.32 108.59 13.42 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.235 0.614 . . . . 73.03 110.045 -176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.421 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.53 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.703 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.12 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.33 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 73.41 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.05 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.44 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.52 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 73.52 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 44.25 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 60.33 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 71.42 111.508 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.42 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.21 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.22 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 65.04 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 52.33 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.43 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 60.12 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' LEU . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 65.14 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 53.44 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 71.01 111.744 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 71.24 109.51 174.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 61.32 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 54.14 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 51.02 110.571 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.14 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.21 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 71.24 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 14.03 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 73.01 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.33 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.54 109.7 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 62.03 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 65.0 109.379 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.4 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.13 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.22 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.54 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.34 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.32 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 64.44 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 65.03 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.3 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.32 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.22 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 52.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.15 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.15 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.43 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.54 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 71.4 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.45 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 65.14 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.13 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.43 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 73.12 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.31 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 61.03 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 44.34 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 62.13 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 60.32 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 71.24 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.35 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.35 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 64.31 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 63.12 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 41.44 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 63.14 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 72.33 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 64.42 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 71.55 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 65.21 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.14 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.32 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.13 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.12 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 63.45 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.31 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.34 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.14 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 52.23 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.34 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.41 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 45.13 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 73.12 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 53.35 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp -94.16 104.48 16.5 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.3 107.712 172.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.26 72.68 4.81 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.739 1.257 . . . . 73.12 108.292 169.158 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -82.98 66.89 8.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.051 -1.431 . . . . 70.21 108.141 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.1 p-80 -104.03 104.75 14.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.305 -0.861 . . . . 73.52 110.314 -174.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -168.34 -44.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.744 -1.116 . . . . 71.52 109.577 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.18 -5.89 59.28 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.185 -0.916 . . . . 74.01 111.044 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -77.34 124.38 27.78 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.589 -0.893 . . . . 70.24 108.589 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.565 1.521 0 O-C-N 124.616 1.197 . . . . 75.23 110.677 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 111.81 0.3 . . . . 74.32 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.82 99.4 5.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 54.43 110.296 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.06 113.27 4.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.443 -0.663 . . . . 55.23 111.443 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD3' ' HA3' ' A' ' 64' ' ' GLY . 80.9 tttt -66.4 155.82 36.35 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.307 0.643 . . . . 73.24 111.098 -174.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.83 94.73 0.85 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.835 0.854 . . . . 75.2 111.2 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 HD23 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.32 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.04 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 63.55 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 61.21 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 61.11 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.42 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.44 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.41 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.87 -51.47 0.09 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.24 112.218 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.61 177.05 35.41 Favored Glycine 0 C--N 1.348 1.222 0 C-N-CA 121.758 -0.258 . . . . 72.04 113.318 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -80.86 -26.87 36.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.971 0.908 . . . . 74.13 111.86 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.88 -8.85 58.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.501 0.721 . . . . 71.23 111.027 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.21 166.61 22.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.38 0.672 . . . . 74.11 111.863 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -118.23 -169.38 1.69 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.375 1.07 . . . . 75.13 109.194 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.29 119.22 7.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.151 0.58 . . . . 74.43 110.538 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -121.36 103.57 9.06 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 53.04 108.065 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 72.44 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 72.23 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 62.24 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 72.43 108.011 -179.09 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 64.12 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.523 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 53.41 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 61.34 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 64.44 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.34 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.32 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.13 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.45 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 73.14 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.34 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 72.03 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.0 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 71.44 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 71.31 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 65.45 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.44 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 72.12 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 62.04 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 54.33 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 74.35 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.573 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 70.21 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 72.3 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.12 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 114' ' ' HIS . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.22 110.1 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.52 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.13 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 72.31 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.11 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 64.42 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.51 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 62.21 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 71.04 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.11 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.22 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 61.31 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 62.32 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.14 113.14 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.42 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 60.42 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 64.4 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 71.55 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 55.14 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 61.53 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.51 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 61.43 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 54.31 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 65.24 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.11 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 73.14 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.43 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 71.23 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 64.34 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.42 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 54.3 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.12 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.34 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 72.15 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.41 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.01 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 74.21 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 62.24 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 63.4 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 70.22 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 71.14 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 62.03 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.54 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.01 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.448 HG22 HG13 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.44 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 55.34 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.51 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.2 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 65.31 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.34 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.21 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.3 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.41 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 74.33 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.41 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.25 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 72.21 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.33 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 90' ' ' ALA . 4.2 mp -121.28 35.79 4.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 52.43 109.411 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 100.69 0.06 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 107.904 -1.147 . . . . 72.34 107.904 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.94 -70.68 0.53 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.71 -0.677 . . . . 75.45 110.098 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -134.52 117.93 16.74 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.417 -0.957 . . . . 71.55 108.417 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' HIS . . . . . 0.487 ' HA ' ' NE2' ' A' ' 51' ' ' GLN . 33.7 p80 -64.71 -18.6 65.15 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.899 0.88 . . . . 71.25 110.996 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 66.42 -94.01 0.03 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.367 1.467 . . . . 64.11 109.968 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -155.44 145.78 21.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.339 -0.986 . . . . 73.05 108.339 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.7 t60 . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.779 -0.823 . . . . 71.52 108.779 -179.436 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 108.469 -0.937 . . . . 75.24 108.469 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.93 158.79 21.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.201 1.0 . . . . 63.44 109.841 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.75 5.37 61.36 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 116.339 -0.391 . . . . 53.21 112.655 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -96.07 -2.29 46.99 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.82 0.848 . . . . 71.54 110.766 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.41 134.8 35.6 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.21 108.58 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 70.2 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.11 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 54.32 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.04 108.392 -167.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 62.42 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.52 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 p -162.73 163.39 26.86 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.34 110.635 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.23 51.34 0.21 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.147 -0.781 . . . . 54.33 111.147 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -128.55 84.83 2.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.291 1.036 . . . . 72.02 109.651 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 71.02 -62.1 0.46 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.866 1.266 . . . . 71.42 109.576 -166.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.75 136.02 36.08 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.107 -0.951 . . . . 65.31 109.502 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -75.27 167.19 22.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.416 1.087 . . . . 73.01 110.531 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 8.6 pt-20 -57.42 118.81 5.54 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.819 0.848 . . . . 71.31 109.19 168.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -117.07 122.59 44.58 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.413 0.685 . . . . 64.42 112.132 -164.197 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.34 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 63.42 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 73.43 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.624 ' HG ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.52 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.44 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.43 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.51 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.55 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 51.53 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.11 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.53 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.14 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 73.13 110.607 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.01 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 62.1 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 72.14 110.941 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 51.53 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 54.31 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 65.31 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.23 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.31 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 65.03 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.35 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 30.22 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.42 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.42 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 44' ' ' ALA . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 65.42 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.11 109.752 175.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 71.44 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.34 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.15 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.44 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.41 113.566 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 72.03 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 62.22 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 73.2 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 54.21 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HD1' HG12 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.41 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 61.51 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 73.41 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 63.02 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.22 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 71.42 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.33 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.35 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.32 110.961 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HB2' HD13 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.52 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.44 110.893 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.12 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 60.34 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 65.21 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.4 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.45 111.18 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.34 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 63.43 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 65.44 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 76' ' ' TRP . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.11 109.078 173.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.21 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 65.31 110.96 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.52 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' CG2' HD11 ' A' ' 108' ' ' LEU . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 61.11 110.427 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.31 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD22 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 71.51 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 70.33 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 35.42 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 45.32 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 61.13 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 74.12 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.23 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 55.42 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.12 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 70.43 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 64.52 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 65.34 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.21 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.45 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 70.14 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.52 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 64.25 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 71.14 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 61.25 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 62.43 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 84' ' ' ILE . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 73.02 110.058 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.42 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp -112.63 35.06 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 63.33 110.398 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -50.59 -38.21 44.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.49 1.116 . . . . 71.33 110.933 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.92 144.04 26.59 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.59 -1.186 . . . . 70.14 108.769 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -66.81 -23.66 66.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.597 0.759 . . . . 74.43 111.389 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.2 m170 76.53 -50.57 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.053 1.741 . . . . 65.34 111.538 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -77.41 107.18 9.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 71.13 108.711 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -129.53 -169.77 2.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.976 . . . . 70.14 109.655 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.3 m80 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.794 -0.817 . . . . 72.31 108.794 173.313 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.541 0.21 . . . . 74.33 110.484 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.96 85.1 1.76 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.415 0.686 . . . . 73.32 110.07 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.9 -87.51 0.21 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.709 -0.678 . . . . 23.21 111.725 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -172.25 169.72 5.33 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 124.102 0.961 . . . . 53.13 109.125 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.74 86.16 3.36 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.922 0.489 . . . . 74.23 110.917 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.34 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 74.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.34 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 64.22 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.12 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 74.33 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.01 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.45 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 49.0 t -108.71 157.44 18.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.45 110.454 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 99.07 1.31 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.885 -0.598 . . . . 62.11 111.987 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m120 69.19 0.32 2.79 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.971 1.309 . . . . 71.41 114.197 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.1 83.97 7.77 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.432 -1.321 . . . . 64.03 107.432 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.44 82.24 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.171 -1.377 . . . . 54.4 113.171 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -169.87 119.58 0.63 Allowed 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.204 -1.406 . . . . 73.54 107.204 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -74.36 149.18 40.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.613 -0.514 . . . . 75.3 109.613 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m -131.55 104.42 6.95 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 71.34 109.114 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.14 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.41 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 70.43 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.02 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.44 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.01 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 41.32 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.21 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 51.22 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.02 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 51.4 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 51.25 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.14 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.22 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.14 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 64.54 110.476 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 72.33 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.55 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 62.24 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.24 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 72.33 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 63.33 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 53.45 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.744 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.43 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 64.22 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.535 HG23 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.42 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.45 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 72.23 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 51.52 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' HB2' HG12 ' A' ' 48' ' ' ILE . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.15 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.43 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 73.53 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.14 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 72.13 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 10' ' ' ILE . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 72.55 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.52 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 55.31 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 71.14 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 74.51 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.22 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.13 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 71.52 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.02 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.22 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.03 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.03 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.51 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 70.34 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.33 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 42.45 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 54.22 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' VAL . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.14 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.11 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.22 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.43 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.31 109.677 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 65.22 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 71.2 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.24 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.24 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.24 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.41 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.33 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 52.13 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.21 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 72.54 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 62.43 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.24 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.432 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.55 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 71.24 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 63.52 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.52 108.186 168.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 64.33 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.14 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 51.44 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 52.3 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.03 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 74.23 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 72.41 111.618 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 72.12 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.34 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 53.42 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 62.44 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 71.54 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.49 110.07 20.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 72.42 109.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -134.49 -65.5 0.64 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.149 0.98 . . . . 62.42 108.94 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -116.64 102.38 9.4 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.258 -0.645 . . . . 70.03 109.258 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.14 138.18 15.53 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.91 -1.144 . . . . 75.53 107.91 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -145.98 112.56 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.215 -1.031 . . . . 72.22 108.215 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -145.61 -53.73 0.28 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.26 1.024 . . . . 70.1 108.65 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 65.16 121.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.881 1.363 . . . . 73.35 111.298 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.19 0.596 . . . . 74.4 109.954 176.31 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.858 -0.423 . . . . 60.43 109.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.42 114.7 10.83 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.004 0.522 . . . . 52.33 109.623 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.54 82.99 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.632 0.582 . . . . 54.1 112.888 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -145.57 127.05 15.02 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 54.13 109.524 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -97.9 110.24 22.85 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 53.15 108.624 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.12 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG22 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 63.32 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 73.12 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.466 HG21 HG11 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.11 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 73.54 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.721 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 72.32 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.12 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p -108.87 104.75 14.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 60.55 110.76 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.76 -117.17 4.36 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.381 -0.827 . . . . 44.43 113.218 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -162.2 -49.36 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.867 0.867 . . . . 74.55 110.348 -175.4 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -96.08 56.65 1.68 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 122.255 1.026 . . . . 73.14 109.68 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -159.79 136.04 8.87 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.709 -1.132 . . . . 62.24 109.24 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -66.25 114.75 5.56 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.453 0.701 . . . . 61.43 110.709 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.19 150.4 43.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.243 1.017 . . . . 61.15 111.778 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m -116.55 115.81 26.44 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.691 0.796 . . . . 61.31 109.259 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 63.44 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.11 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 72.41 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.04 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.52 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.55 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.42 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.31 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.35 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.15 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.34 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.11 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 44.2 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.45 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 73.24 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.44 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.21 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 71.21 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG11 HG21 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 52.3 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.4 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.51 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.2 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.31 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 50.12 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.41 111.022 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.721 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 70.02 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.791 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 71.22 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.33 111.681 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.25 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.11 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 41.22 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 64.15 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.43 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 71.15 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 64.53 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.42 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.33 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.32 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 64.12 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.2 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 53.33 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.656 HD11 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.15 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 71.43 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.2 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.24 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 35.21 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.22 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 74.55 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.084 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.52 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.2 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.43 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.41 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 62.24 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.41 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 63.43 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 63.33 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.34 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.23 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 54.13 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.11 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.33 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 71.35 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.13 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 73.51 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 70.43 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 93' ' ' SER . 4.6 tp-100 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.44 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.04 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.43 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.44 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 71.11 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.04 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 35.11 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 61.24 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 71.22 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.42 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.12 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 70.34 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 64.1 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.41 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 64.43 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.44 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 65.45 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp -125.94 113.27 16.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.34 107.039 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.8 -46.44 62.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.016 -0.735 . . . . 75.42 109.016 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -152.01 164.32 37.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.776 -1.102 . . . . 63.35 109.403 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.8 160.77 41.86 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.276 -1.009 . . . . 63.23 108.276 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -65.42 95.0 0.19 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 109.267 -0.642 . . . . 72.43 109.267 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -85.72 138.6 31.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.317 1.047 . . . . 74.44 111.345 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -136.87 143.48 43.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.582 0.753 . . . . 75.34 109.147 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 CA--C 1.559 1.308 0 CA-C-O 120.968 0.414 . . . . 75.43 109.919 173.912 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.744 -0.465 . . . . 74.52 109.744 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.56 -51.59 4.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.577 0.751 . . . . 63.52 110.58 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.0 -165.18 12.29 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.79 -0.641 . . . . 44.23 112.249 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.78 114.43 7.97 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.822 -0.436 . . . . 75.14 109.822 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -129.74 146.16 51.51 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.793 0.837 . . . . 71.53 110.182 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 65.5 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.23 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 64.53 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 61.12 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 72.15 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.32 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 44.01 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.41 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t -128.96 23.02 5.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.32 109.589 -169.433 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.32 -138.88 22.47 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.211 -1.155 . . . . 53.23 110.211 -172.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -141.35 103.89 4.5 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.246 -0.649 . . . . 72.31 109.246 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -74.94 -40.18 60.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.844 0.858 . . . . 53.23 110.633 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -168.57 -44.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.825 -1.546 . . . . 72.42 106.825 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -139.19 167.82 21.22 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 113.408 -1.724 . . . . 74.13 108.4 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.64 135.97 36.7 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.296 -1.001 . . . . 74.51 108.296 171.462 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p -81.27 104.49 11.76 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 64.35 109.491 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.31 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 72.22 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 61.34 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.21 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.31 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 73.24 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.33 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 72.51 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.13 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 43.24 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.12 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.05 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 73.55 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.34 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 65.4 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 74.34 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.42 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' HD13 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.44 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.44 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.43 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.23 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 73.13 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 64.32 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.3 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.72 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 61.24 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 61.12 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 70.24 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.35 111.764 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 63.53 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.41 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.72 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.33 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 108' ' ' LEU . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.42 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 72.24 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.32 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.23 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.22 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 63.31 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 62.2 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 71.34 111.679 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 73.11 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 65.14 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.32 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.15 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.21 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.4 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.695 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 64.4 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 64.21 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 62.22 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 41.12 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 71.41 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 53.24 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 74.52 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.3 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.2 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 65.01 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 61.42 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 54.34 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.04 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.507 HG22 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.43 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 60.31 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 65.43 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 73.52 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.23 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 70.23 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.11 109.993 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.31 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 25.1 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 70.15 111.172 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 71.3 112.514 -164.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.44 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 62.43 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 65.1 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 63.51 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.31 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 32.52 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 74.43 109.408 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 52.03 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 40.25 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 54.32 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.436 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.23 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.22 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 73.44 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 70.52 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.507 HD11 HG22 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 65.11 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.34 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? -84.42 101.61 12.14 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.35 108.259 171.17 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 68.39 118.67 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.111 1.364 . . . . 74.31 111.603 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -84.45 56.99 4.05 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.928 0.871 . . . . 74.52 108.843 168.676 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -95.84 6.15 49.6 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.184 -0.916 . . . . 74.32 109.96 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -106.81 106.31 16.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.548 1.139 . . . . 54.34 108.204 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -72.37 90.09 1.26 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.196 0.599 . . . . 71.5 110.883 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -99.06 53.96 0.98 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.664 -0.865 . . . . 70.21 108.664 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.0 t60 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.081 -1.081 . . . . 74.23 108.081 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.312 -0.625 . . . . 71.41 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.11 162.0 22.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.819 0.848 . . . . 52.14 109.996 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.06 179.61 32.71 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 110.802 -0.919 . . . . 41.41 110.802 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -148.3 -176.44 5.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.307 0.643 . . . . 73.51 110.546 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 70.27 -71.7 0.12 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.628 1.571 . . . . 75.33 112.001 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 61.21 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 74.14 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.45 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.52 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 44.22 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.35 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.12 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.12 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -85.5 -39.02 17.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 72.3 109.907 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.74 -66.36 0.19 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.829 -0.508 . . . . 51.45 111.829 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.97 39.06 1.11 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.551 0.74 . . . . 71.01 110.743 -174.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.55 63.58 8.15 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.318 0.647 . . . . 74.31 109.813 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.06 -52.79 63.87 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 107.616 -1.253 . . . . 74.11 107.616 165.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -75.06 96.99 3.32 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 105.825 -1.917 . . . . 62.13 105.825 161.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 131.1 48.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.834 0.454 . . . . 72.44 110.375 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m -89.48 103.18 15.84 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.21 107.567 -178.836 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.3 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.24 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.21 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 44.14 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.32 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.44 109.674 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 73.22 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.31 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.04 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 73.12 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.55 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 76' ' ' TRP . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 54.43 111.451 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.638 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.03 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 61.31 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 60.13 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.54 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 71.34 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 84' ' ' ILE . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 65.23 110.684 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 64.12 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 72.2 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.13 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 52.12 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.12 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 62.33 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.34 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.42 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.33 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.22 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 52.23 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 61.24 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 70.32 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.14 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 HD13 ' A' ' 12' ' ' ILE . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.03 106.512 170.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 65.24 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.03 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.44 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.33 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 62.34 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 72.41 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 70.5 112.476 168.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 33.31 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.34 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 55.01 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 54.51 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 73.1 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 63.13 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.33 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 74.41 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.04 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.43 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 64.01 109.737 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.631 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.41 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.02 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 63.11 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.23 111.521 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 65.24 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.12 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.11 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 51.35 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.433 HD11 HG12 ' A' ' 40' ' ' VAL . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.21 108.688 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.42 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.51 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 62.34 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 61.52 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.11 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 54.53 112.538 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.34 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.13 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.14 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 72.23 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.33 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.42 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.33 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 70.0 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.01 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 71.41 112.207 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.24 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.465 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 72.34 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.44 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 51.53 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.54 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 24.33 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 44.25 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.42 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 55.11 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.48 137.37 54.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 72.25 108.681 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.01 133.54 24.95 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.518 -0.549 . . . . 64.44 109.518 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -112.79 126.79 55.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.834 -1.173 . . . . 65.23 107.834 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -68.79 75.51 0.29 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.104 0.962 . . . . 74.02 112.083 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 179.33 -25.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.435 . . . . 73.44 109.518 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -50.69 -56.34 12.38 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.069 1.348 . . . . 74.22 111.682 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.0 m80 63.43 -75.43 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.962 1.305 . . . . 73.32 111.596 -178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 124.209 1.003 . . . . 72.34 109.125 178.411 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.115 -0.328 . . . . 74.12 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.72 99.17 0.05 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.922 1.289 . . . . 74.45 111.325 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.36 -135.1 8.76 Favored Glycine 0 N--CA 1.468 0.788 0 N-CA-C 111.147 -0.781 . . . . 41.41 111.147 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 60.31 -175.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.668 1.187 . . . . 62.03 112.062 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 56.86 79.46 0.18 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.625 1.17 . . . . 74.03 112.561 167.391 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.35 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.14 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.15 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.34 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.24 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.33 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 53.24 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 20.8 p -131.43 29.52 4.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.02 108.953 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.63 -87.83 1.51 Allowed Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.12 -1.192 . . . . 63.14 110.12 -169.444 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -165.03 16.5 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.29 0.636 . . . . 60.24 110.249 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.41 -48.44 61.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.391 0.615 . . . . 74.12 109.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -103.54 123.39 46.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 107.064 -1.458 . . . . 62.42 107.064 164.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -69.06 148.3 50.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.226 -0.657 . . . . 74.41 109.226 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.68 123.51 15.18 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.693 0.797 . . . . 71.21 110.196 -175.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -131.96 107.83 8.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.354 0.662 . . . . 64.23 110.085 -175.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 71.33 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.23 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.3 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.671 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.21 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 61.35 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' HB2' HD22 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.12 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.35 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.34 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.23 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 42.42 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.13 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 61.54 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 70.51 111.533 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.01 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.41 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 71.31 110.999 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.12 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 73.41 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.01 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 62.52 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 64.3 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 30.14 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 63.24 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 51.01 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 73.32 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.7 HD13 HD11 ' A' ' 88' ' ' LEU . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.45 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.45 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 72.31 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 74.22 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 72.45 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 72.24 108.397 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.53 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.22 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 71.14 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 61.14 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.51 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 72.2 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.14 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 65.42 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 63.43 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.13 108.939 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.43 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 71.12 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 55.33 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 64.45 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 51.22 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.55 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 70.33 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 65.33 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 74.31 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 70.22 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 64.01 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 65.01 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.31 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.44 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.44 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 51.12 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.13 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.12 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 70.2 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.22 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.33 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 m-20 -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.31 111.817 -177.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.4 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD11 HD13 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 71.52 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.43 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.12 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 72.12 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.04 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' HG13 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 65.32 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.32 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.1 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 71.51 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 55.22 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.31 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.44 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.33 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 55.42 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.13 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.4 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 45.21 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.33 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.41 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 72.52 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.563 HD11 HG22 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.41 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 62.41 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? -94.47 19.37 9.78 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 62.11 110.696 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.87 -26.82 68.49 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.154 0.582 . . . . 72.53 109.86 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.5 m80 70.58 17.53 6.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.431 1.493 . . . . 71.23 112.482 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -100.19 98.81 9.46 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.952 0.901 . . . . 65.22 108.661 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.15 117.12 11.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.845 0.858 . . . . 72.24 110.212 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -131.5 95.69 3.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.108 0.48 . . . . 55.11 110.184 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -101.57 134.26 44.97 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.112 -1.44 . . . . 74.52 107.112 165.213 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 CA--C 1.562 1.435 0 C-N-CA 124.431 1.092 . . . . 73.33 109.799 -172.005 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.4 ttm . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.536 -0.542 . . . . 74.41 109.536 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.12 167.52 0.18 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.675 1.19 . . . . 62.22 112.504 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.89 -34.58 3.17 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 116.399 -0.364 . . . . 62.54 112.729 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -67.47 82.34 0.16 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.957 1.303 . . . . 74.35 109.571 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -169.02 54.19 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.937 0.895 . . . . 72.24 109.437 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HB1' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 54.42 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.01 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.626 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.24 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.14 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.1 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 62.05 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.35 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.21 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t -110.89 -58.74 2.06 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.21 111.201 -167.006 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.32 156.28 9.4 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.058 -1.217 . . . . 72.54 110.058 -175.055 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 32.0 m-80 64.12 102.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.389 1.076 . . . . 72.53 108.689 -168.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.16 -24.57 67.73 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 63.43 111.362 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.25 -48.83 69.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.085 0.954 . . . . 54.52 109.62 170.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 56.6 tttm -87.39 72.12 9.81 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 122.412 1.101 . . . . 71.41 110.222 -175.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.96 152.35 33.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.084 -1.416 . . . . 73.35 109.449 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m -125.65 134.17 51.95 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.32 108.158 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 64.45 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.45 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.01 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 71.31 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.42 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 62.45 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.11 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 62.45 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.42 109.575 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 72.35 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.35 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 54.1 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 74.33 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.31 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.05 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' HG22 ' A' ' 80' ' ' VAL . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.34 110.026 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 71.14 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 54.44 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.12 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.24 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.43 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 64.11 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 53.14 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 54.14 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.02 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 64.43 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.3 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 63.51 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.22 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 65.13 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 62.23 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.672 ' HB2' HD13 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.15 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 73.52 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.2 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 64.32 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.13 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 62.34 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 63.1 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.31 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 74.54 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 65' ' ' LEU . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.11 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 60.11 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 33.4 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 71.44 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.23 105.544 -170.754 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.54 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.32 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 44.31 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 73.24 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.12 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.42 111.471 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.14 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.34 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 70.14 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.35 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 60.15 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.01 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.44 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG22 ' HG ' ' A' ' 37' ' ' LEU . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 62.41 111.276 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 63.32 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 53.2 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 61.12 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 64.41 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.35 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 52.45 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 61.51 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.51 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.14 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 53.31 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.14 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.01 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.23 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.21 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.45 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 64.24 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 63.42 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.21 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.53 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.24 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.42 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.4 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.11 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 55.03 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.2 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.41 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 61.22 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HG ' HG12 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 62.43 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.01 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -117.48 100.41 7.63 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.3 108.821 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 88.39 2.27 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 106.3 -1.741 . . . . 71.3 106.3 172.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 57.73 -61.62 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.016 2.127 . . . . 72.2 112.684 -167.633 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.2 t60 63.49 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.647 1.579 . . . . 72.0 109.277 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 62.5 t60 176.48 118.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.437 -1.32 . . . . 73.01 107.437 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -68.66 110.89 4.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.145 -1.057 . . . . 64.41 108.145 173.475 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -62.39 95.23 0.07 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.613 0.765 . . . . 71.34 111.063 -173.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 108.855 -0.794 . . . . 71.32 108.855 175.421 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.442 -0.577 . . . . 62.41 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.44 -18.72 61.68 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.682 0.793 . . . . 71.23 111.948 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.43 -112.16 3.87 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.327 -0.709 . . . . 73.11 111.327 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -164.25 2.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.736 0.814 . . . . 75.32 110.525 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -113.92 -167.54 1.22 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 73.52 111.492 -163.7 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 43.22 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.22 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.02 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.23 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 64.04 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.01 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 HG13 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 65.53 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.1 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 53' ' ' CYS . 60.2 m -92.13 -5.57 52.46 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.34 112.861 -172.392 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.4 -95.76 0.16 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 112.289 -0.324 . . . . 74.13 112.289 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 62.4 t30 -138.06 41.75 2.27 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.675 1.226 . . . . 75.14 108.402 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.32 -30.25 48.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 113.795 -1.548 . . . . 62.14 110.683 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 64.53 10.62 5.97 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.273 1.429 . . . . 73.34 111.958 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 9.8 mmpt? -86.69 90.26 8.21 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.585 -0.894 . . . . 50.23 108.585 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.59 113.58 4.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.071 -1.085 . . . . 62.43 108.071 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m -119.36 103.33 9.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 71.42 108.271 -177.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.34 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.12 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 52.44 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.32 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.31 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 53.41 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.14 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.34 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.4 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 72.44 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 33.15 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 70.04 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 71.35 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 62.11 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 79' ' ' GLU . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.04 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.35 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.55 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 53.55 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.04 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 53.21 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 70.34 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.2 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.35 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.34 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 73.12 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.14 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.22 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.3 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.51 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.41 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 61.02 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 64.54 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.23 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 60.25 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 64.52 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.43 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.34 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.2 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.23 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.33 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.721 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.43 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 60.41 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.23 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.34 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.31 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 51.35 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.23 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.3 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.13 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.55 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.12 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 74.44 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 70.43 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.34 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 70.45 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.14 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.51 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.34 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 71.15 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 64.42 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.12 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.32 112.002 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 61.41 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.41 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.54 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.04 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.2 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 72.22 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.552 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 71.13 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.44 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.43 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' HG22 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 72.14 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.12 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 73.11 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 61.22 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 63.01 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 60.05 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.44 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.14 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.33 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 65.22 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 70.02 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 55.33 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 63.42 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.757 HD22 ' HB1' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.53 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 71.13 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 88' ' ' LEU . 5.3 mp -105.06 111.96 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.45 108.114 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.29 -61.25 1.86 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.774 -1.195 . . . . 73.03 107.774 168.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -163.51 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.295 1.438 . . . . 73.32 108.719 167.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -75.84 150.93 37.56 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.92 0.39 . . . . 73.54 111.758 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 68.0 m-70 -139.28 142.85 37.72 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.744 0.818 . . . . 73.35 109.192 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.71 81.89 2.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 123.934 0.771 . . . . 54.23 109.841 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -79.64 142.61 35.42 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.947 -1.024 . . . . 70.24 109.394 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 108.387 -0.968 . . . . 64.02 108.387 171.794 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.302 -0.258 . . . . 71.33 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.45 -7.94 0.1 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.184 0.594 . . . . 42.41 111.919 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 27' ' ' PHE . . . -158.76 60.54 0.32 Allowed Glycine 0 C--N 1.353 1.518 0 C-N-CA 121.622 -0.323 . . . . 35.54 112.709 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -70.68 -28.19 64.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.484 0.713 . . . . 73.51 112.145 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 6.37 17.49 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.58 -0.736 . . . . 71.13 111.088 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 65.54 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.15 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.696 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 63.43 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.44 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.746 HG12 HD21 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 54.42 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 52.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.42 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 50.41 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t -103.25 -77.82 0.56 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.24 109.55 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.76 -20.25 19.73 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.404 0.44 . . . . 74.43 112.622 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.39 41.02 2.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.595 1.558 . . . . 75.52 111.376 -173.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.52 42.21 3.28 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.196 -0.911 . . . . 70.25 111.095 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 78.0 -39.12 0.27 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.702 1.371 . . . . 61.11 114.702 167.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -62.76 -29.01 70.37 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.855 0.862 . . . . 62.4 112.405 -172.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.58 148.79 27.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.483 1.113 . . . . 73.42 110.75 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -132.98 160.35 37.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.791 0.436 . . . . 72.11 110.849 -158.123 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 62.22 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HE2' HG22 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.42 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.43 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD21 HG12 ' A' ' 10' ' ' ILE . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.05 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.42 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' O ' ' HA3' ' A' ' 3' ' ' GLY . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.31 110.343 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.14 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 55.01 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 65.12 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 65.24 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.05 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 62.23 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 71.2 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.54 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 51.44 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 73.13 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 72.34 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' HD13 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 74.05 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG13 HG21 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 64.42 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 51.2 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 53.25 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.32 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 72.34 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.52 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.3 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.722 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 61.12 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.793 HG21 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 63.15 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.1 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 47' ' ' LYS . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.55 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.12 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 61.15 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.55 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 63.23 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 65.45 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.33 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.31 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.51 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 71.01 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 73.34 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.33 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.51 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.24 111.469 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.35 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.34 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 65.22 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 64.11 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.32 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.11 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 62.35 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 64.35 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 60.35 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.12 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.22 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.33 111.175 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 52.34 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.41 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.33 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.42 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 41.13 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.35 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.43 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.53 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.12 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 63.34 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.33 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.793 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.11 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.15 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.44 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.42 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.51 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.44 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.04 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.22 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.44 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.23 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.21 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 42.24 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 52.43 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.45 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.51 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.04 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.32 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.34 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.52 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.04 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 51.22 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 64.32 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.44 67.51 9.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -7.91 41.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.087 -1.415 . . . . 51.35 111.056 170.119 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -51.7 -41.42 61.46 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.193 1.397 . . . . 42.42 111.022 166.129 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -89.26 -6.65 56.62 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.791 0.663 . . . . 71.24 112.791 -171.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -136.67 -170.24 2.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 65.32 109.343 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -89.78 165.85 13.91 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.38 -0.6 . . . . 74.33 109.38 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -86.73 -173.89 4.71 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.297 0.639 . . . . 75.54 111.076 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 123.803 0.841 . . . . 73.42 109.505 -177.949 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.655 -0.869 . . . . 72.21 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.01 93.03 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.56 0.744 . . . . 52.01 109.523 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.42 54.05 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.845 -0.616 . . . . 51.32 113.414 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 68.4 166.27 0.25 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.27 1.211 . . . . 70.12 114.27 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -111.75 115.68 29.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.672 -1.604 . . . . 73.12 110.499 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 71.45 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 70.55 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.51 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.55 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.2 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.13 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.04 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.53 109.394 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m -124.91 -73.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.04 109.691 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.65 29.33 6.37 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.055 0.36 . . . . 75.13 113.09 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 28.5 p-10 -163.92 141.8 7.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 71.13 110.756 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.31 -54.98 1.03 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.904 0.881 . . . . 55.1 108.757 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.09 67.12 4.72 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.261 -1.014 . . . . 74.43 108.261 172.285 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 53.4 tttp 169.1 90.83 0.0 OUTLIER 'General case' 0 C--O 1.244 0.764 0 C-N-CA 126.053 1.741 . . . . 75.11 106.54 -171.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.09 119.78 10.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.766 0.426 . . . . 73.53 110.841 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m -121.73 104.45 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.099 -0.704 . . . . 71.43 109.099 170.612 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 72.15 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.33 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 62.42 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.13 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 71.23 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.53 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 73.51 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.44 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.41 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.45 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 44.04 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 72.33 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.45 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.2 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 65.22 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.23 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 62.04 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.22 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 42.4 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.02 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.22 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.21 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 51.04 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.11 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 64.51 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 88' ' ' LEU . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.42 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 71.33 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.42 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 51.04 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.22 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.12 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 53.14 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.24 108.853 176.6 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.32 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.23 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.45 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 71.55 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.13 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.23 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 64.04 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 63.22 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.35 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.33 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.01 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.45 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.21 112.292 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.51 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 65.12 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.3 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 72.55 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.32 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 73.53 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 52.42 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.32 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 73.31 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 70.52 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 33.21 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.42 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.32 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 63.34 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 50.54 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.45 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.24 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.11 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.53 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.1 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.12 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.21 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 63.23 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.34 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 71.34 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 61.53 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 64.5 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 23.33 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.15 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.3 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.11 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.41 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 73.41 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.43 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 63.44 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 61.14 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 54.42 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.33 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 72.21 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp -109.29 53.55 0.68 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 65.31 110.147 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.5 -44.69 93.6 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.738 -0.838 . . . . 63.24 108.738 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -82.63 81.53 8.37 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.58 -1.191 . . . . 71.41 107.943 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -62.16 126.5 27.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.149 -0.932 . . . . 63.42 111.229 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.9 t60 63.13 13.49 6.87 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.475 1.11 . . . . 74.2 112.453 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -71.71 89.94 1.04 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.032 -0.729 . . . . 73.33 109.032 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -106.12 -27.14 11.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.573 1.149 . . . . 75.05 110.578 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 124.62 1.168 . . . . 72.43 109.928 -175.145 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.995 -0.372 . . . . 65.41 109.995 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 99.4 4.47 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.997 0.519 . . . . 64.02 110.042 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.61 106.76 2.07 Favored Glycine 0 C--N 1.343 0.968 0 O-C-N 123.82 0.7 . . . . 52.53 111.916 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -69.21 155.26 40.7 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.252 0.621 . . . . 71.41 109.438 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.83 27.38 0.46 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.43 113.244 -166.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.23 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 72.21 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.718 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 71.04 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 71.5 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 HD21 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.34 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 63.23 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' HD3' ' A' ' 47' ' ' LYS . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.4 107.774 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.52 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.9 162.96 34.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 64.04 110.654 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.14 58.14 0.58 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 110.918 -0.873 . . . . 73.22 110.918 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -132.19 32.27 4.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.544 0.737 . . . . 71.55 110.653 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t70 67.01 6.24 4.59 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.498 0.719 . . . . 60.03 111.167 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.59 -25.31 59.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.956 0.902 . . . . 73.44 111.675 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 20' ' ' GLU . 24.3 ttmm 71.95 174.52 0.29 Allowed 'General case' 0 CA--C 1.557 1.244 0 O-C-N 124.955 1.41 . . . . 53.24 108.911 -166.732 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 10.2 pt-20 -59.13 118.0 5.37 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 108.865 -0.791 . . . . 72.25 108.865 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p -119.83 105.2 10.88 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 70.41 108.68 -175.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 72.15 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.44 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 63.25 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.718 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.42 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.31 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.13 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.34 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.14 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 64.14 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 54.41 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.22 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.44 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 63.34 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 63.54 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 61.0 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 74.33 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.34 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 71.14 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.4 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 54.52 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.03 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.22 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.52 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.43 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 12' ' ' ILE . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.15 111.667 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.04 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.14 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.24 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.21 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 51.12 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 73.12 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.43 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 63.22 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.41 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.41 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 64.34 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.23 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 72.32 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 50.34 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 73.01 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 51.21 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.13 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 63.32 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.12 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.55 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.11 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.34 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 72.5 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.33 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 62.23 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.53 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.13 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 53.33 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.44 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' TRP . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 73.13 111.072 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.33 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 72.24 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.53 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.23 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 53.4 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.14 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.25 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.43 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 71.03 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.31 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 62.41 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.22 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 73.32 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG22 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.42 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.44 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.4 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 62.3 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.02 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 64.43 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.51 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.41 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 53.4 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.22 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 65.45 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.533 HD22 ' HB1' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.11 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 70.33 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp -110.24 -5.06 15.39 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.86 82.02 0.91 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.465 0.706 . . . . 71.22 110.859 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -136.79 1.71 2.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.733 0.813 . . . . 73.23 110.095 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -80.06 68.53 6.22 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.834 0.826 . . . . 75.1 108.959 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.2 p80 173.17 159.41 0.12 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.659 1.983 . . . . 73.53 107.124 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.6 t60 73.26 3.85 4.72 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 124.198 0.999 . . . . 72.44 111.955 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -61.15 -38.62 87.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.181 0.992 . . . . 71.1 110.326 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 115.294 -0.866 . . . . 74.11 108.689 171.721 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.099 -0.704 . . . . 73.42 109.099 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . . . -132.41 -29.53 1.57 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.691 0.796 . . . . 73.33 111.59 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.15 -71.72 0.46 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 111.324 -0.71 . . . . 73.21 111.324 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -73.73 74.85 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 122.333 1.064 . . . . 44.03 108.333 166.564 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 48.2 tt0 -148.61 125.68 11.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 114.746 -1.115 . . . . 62.53 110.574 -164.013 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.41 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.55 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.01 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.22 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.4 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.82 HG21 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 74.33 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.53 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t -171.1 -53.95 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.01 108.511 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.52 59.55 0.04 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.764 -0.934 . . . . 70.44 110.764 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 35.7 m-80 -90.44 68.21 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.633 0.73 . . . . 75.12 111.268 -171.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.53 -38.92 58.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.92 -1.036 . . . . 64.51 108.475 168.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -126.11 152.98 45.18 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.32 -1.309 . . . . 72.55 108.795 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 67.63 103.33 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.978 1.311 . . . . 71.11 111.778 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.39 117.66 18.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.592 -0.892 . . . . 75.3 108.592 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.405 HG23 ' HB ' ' A' ' 12' ' ' ILE . 5.0 t -103.45 106.4 16.9 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 54.22 109.609 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.3 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.44 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.41 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.76 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 62.14 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.31 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.51 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 62.12 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.04 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 62.01 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.44 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 61.1 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.23 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 72.34 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.4 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.14 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 61.01 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.21 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.43 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 61.11 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 50.33 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 65.42 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.41 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.21 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.23 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.31 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.82 ' HG3' HG21 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.43 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.765 HD13 HD11 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.12 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 61.2 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 73.04 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.42 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 24.4 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.45 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 72.42 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.22 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.35 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 72.43 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 61.34 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 73.43 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' HG12 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.24 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.33 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 71.12 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.12 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.4 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.22 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.42 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 62.35 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 73.21 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.2 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 64.4 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 52.11 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 71.52 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.53 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.0 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.41 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 73.43 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.22 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.33 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.41 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.35 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.14 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 64.35 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 71.21 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 72.24 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 41.11 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 55.33 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.45 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.765 HD11 HD13 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.24 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.53 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.12 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.22 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 74.13 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.12 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.14 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.44 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.44 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 54.41 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.24 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.34 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.12 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 44.24 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.41 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.04 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 63.31 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 45.03 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 61.52 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.21 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 65.41 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.23 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.53 129.39 52.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.4 110.403 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -9.34 58.24 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.922 0.489 . . . . 71.22 110.681 172.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -68.27 108.56 3.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.551 0.74 . . . . 74.32 110.148 167.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -146.84 114.02 6.22 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.688 0.795 . . . . 60.32 109.296 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -88.35 57.27 4.17 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.825 -0.806 . . . . 65.44 108.825 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -167.53 100.4 0.49 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.551 -0.907 . . . . 63.23 108.551 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -74.05 145.46 44.46 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 122.984 0.514 . . . . 71.34 110.282 -175.518 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.012 -0.366 . . . . 74.34 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 139.64 57.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.674 0.789 . . . . 63.2 112.229 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.08 47.22 3.73 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 123.503 0.502 . . . . 44.35 112.888 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -71.91 -45.51 60.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.456 0.703 . . . . 73.13 109.967 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.58 157.48 27.34 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.435 -0.802 . . . . 71.24 109.869 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 61.44 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.33 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.24 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 63.34 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' THR . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 53.42 109.868 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.31 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.22 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.54 39.27 1.13 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 64.5 109.505 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 11.98 80.83 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.662 -0.699 . . . . 64.43 112.3 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 18.9 p-10 -86.17 89.23 7.77 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.644 0.778 . . . . 73.34 110.591 -172.61 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -77.44 -39.69 45.96 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.542 -0.753 . . . . 71.03 109.852 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.84 38.27 1.77 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.392 1.077 . . . . 54.32 110.837 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 22.1 tptm -155.9 125.83 6.5 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.97 0.508 . . . . 73.24 109.678 173.548 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 119.41 25.01 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 121.597 0.713 . . . . 73.41 109.297 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 94.9 m -115.51 106.64 14.18 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 54.2 107.781 175.158 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.21 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 63.02 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 73.05 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.55 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 70.52 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HB3' HD12 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 70.25 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 62.42 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 63.24 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 53.4 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.24 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 51.11 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.01 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.51 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.15 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.11 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 62.34 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 71.35 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.12 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.13 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 62.21 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 72.44 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 63.13 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 52.33 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.21 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 64.35 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.33 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 51.11 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.21 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.23 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 51.15 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.12 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.3 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.45 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 64.22 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 62.11 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.34 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.1 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.11 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.3 109.286 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 65.24 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.45 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 64.02 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.13 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.14 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.42 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 65.33 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.24 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.23 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.42 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.14 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.53 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 43.21 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.41 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 95' ' ' THR . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 64.11 110.592 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 53.42 111.866 -175.311 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 76' ' ' TRP . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 74.41 109.38 171.09 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.13 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.42 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.11 108.865 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.11 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.21 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.03 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.2 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 73.34 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.31 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.42 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.41 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' A' ' 93' ' ' SER . 4.0 tp-100 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 60.31 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 71.03 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.11 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.51 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.31 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.31 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 64.05 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.31 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 61.22 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 72.21 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.14 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 53.31 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ILE . . . . . 0.42 HG22 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 64.11 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 71.53 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG3' HG22 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.32 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp -96.6 32.11 2.12 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 54.11 108.92 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.52 70.04 8.31 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.631 1.205 . . . . 72.01 110.348 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -131.38 43.39 3.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 105.933 -1.877 . . . . 74.43 105.933 173.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -95.59 25.26 4.63 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 113.742 -1.572 . . . . 75.11 109.8 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -72.42 141.29 48.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.555 0.742 . . . . 64.0 109.146 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -60.31 123.94 18.79 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.525 0.73 . . . . 72.34 111.546 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -67.3 134.61 51.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 72.23 111.913 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.197 1.399 . . . . 75.23 107.809 167.801 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 C--O 1.242 0.661 0 N-CA-C 109.475 -0.565 . . . . 72.43 109.475 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 62.5 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.3 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.601 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 72.34 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 64.11 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.645 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 54.5 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 73.41 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.52 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t . . . . . 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p . . . . . 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.21 108.319 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 55.31 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.645 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.24 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 73.34 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.51 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.52 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.54 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 70.2 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.43 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 54.05 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 71.53 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.12 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 64.25 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 63.13 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.607 HD13 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 74.2 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 70.12 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 72.41 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HD3' HD13 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 71.41 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 61.1 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.11 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.54 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 65.22 112.194 -172.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.03 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 63.15 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.32 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.45 110.163 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.31 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.24 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 72.54 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.34 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.32 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.57 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.11 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 71.25 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.43 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.53 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.15 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 62.43 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 71.32 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.42 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 63.41 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 51.45 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 51.13 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.43 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 62.54 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.4 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.35 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.53 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 64.25 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 72.23 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 72.04 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.15 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.11 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 70.31 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.53 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 73.54 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 63.23 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.54 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 63.44 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 54.24 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 65.42 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.43 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.1 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.34 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 60.23 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 72.01 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 45.21 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.33 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 63.14 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.12 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.33 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.41 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.22 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 74.43 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.44 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.22 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.34 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.4 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.05 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.35 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.04 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 64.5 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.01 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 65.54 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 70.13 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 71.41 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 72.25 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? . . . . . 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.11 110.048 -171.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 109.828 -0.434 . . . . 63.11 109.828 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.4 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 74.22 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 53.33 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.54 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 63.05 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.33 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 64.11 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.05 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p . . . . . 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 73.24 110.102 176.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p . . . . . 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.31 108.952 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 71.21 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.1 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 72.42 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 62.15 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.515 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 62.14 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.32 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.4 110.584 178.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.33 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.04 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 72.32 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 45.41 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 72.11 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.53 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 64.2 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 61.32 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.15 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 54.34 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 63.33 110.352 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.05 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.13 111.197 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 42.05 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.33 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 43.11 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.14 111.013 174.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.12 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.5 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.02 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 73.33 111.191 177.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.31 111.141 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 61.13 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 42.41 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.02 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.31 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.4 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.43 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.01 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 51.14 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.42 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG22 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 71.05 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.12 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 55.1 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 71.43 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.34 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.04 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 71.25 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.42 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 51.25 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 33.54 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.23 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 64.11 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 64.33 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 61.42 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 45.14 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.24 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.11 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 44.44 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.2 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 62.11 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 61.44 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.41 111.501 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 74.43 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 64.03 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.1 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.53 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 54.33 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 63.54 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 32.4 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.41 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.01 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 71.31 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' HG13 ' A' ' 106' ' ' VAL . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 44.23 111.495 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 54.03 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 60.13 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . 0.417 HG22 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.15 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.15 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.31 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.1 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.41 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.417 ' HE1' HG22 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 71.42 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 54.24 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.44 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.33 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 73.51 107.741 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.02 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.555 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 42.34 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.4 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp . . . . . 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 71.03 109.25 -179.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . 0.477 ' HB3' ' NH1' ' A' ' 7' ' ' ARG . 36.2 mm-40 . . . . . 0 CA--C 1.544 0.748 0 CA-C-O 121.543 0.687 . . . . 65.14 111.909 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.42 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 70.32 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 63.01 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.22 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.02 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.34 109.021 -173.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 73.02 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.4 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p . . . . . 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 30.23 109.891 -179.535 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 63.5 m . . . . . 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.33 106.97 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.45 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.51 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 45.44 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.708 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.14 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.21 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 72.51 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 65.32 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 73.53 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.33 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 64.43 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.31 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 63.13 111.387 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.41 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.708 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 54.52 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 34' ' ' LYS . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 72.41 110.624 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 65.11 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.42 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 54.51 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 51.13 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.13 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 54.2 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.23 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 61.42 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.53 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.15 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.74 HD13 HD11 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.33 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 74.11 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 54.2 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 24.9 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.2 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 64.05 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 70.01 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.13 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 70.33 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.31 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 72.03 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.41 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.53 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.13 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 73.03 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 72.53 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.14 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.3 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 65.51 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 71.13 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.04 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 65.43 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 70.11 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 53.02 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.24 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 71.12 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.44 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 63.3 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 61.53 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 72.01 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.15 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 61.01 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.44 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.33 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 71.11 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 72.1 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 71.44 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.52 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.05 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 70.44 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.35 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.23 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.52 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 55.21 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 72.22 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 74.33 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.56 ' HB2' HG13 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 64.13 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 64.21 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 73.34 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 54.34 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 71.13 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 63.51 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.2 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 54.54 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 54.02 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 63.32 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.772 HG22 HG23 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.54 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 60.54 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 72.02 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 71.02 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.22 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 64.41 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.49 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp . . . . . 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.12 110.321 178.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 63.43 109.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.14 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 55.11 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 73.32 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.35 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 61.35 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 64.33 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 52.21 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.31 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p . . . . . 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 63.24 112.127 -175.341 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 p . . . . . 0 N--CA 1.464 0.254 0 N-CA-C 107.89 -1.152 . . . . 61.4 107.89 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 60.45 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.41 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 72.24 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.11 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 64.23 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.33 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 64.3 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.02 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.31 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 62.33 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.11 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 71.44 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 62.14 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.3 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.54 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 62.42 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.54 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.44 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.43 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 70.24 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 73.22 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.31 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.33 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.32 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 70.12 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 44.45 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.403 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 52.41 113.699 -168.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 62.21 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.14 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.508 HG13 HD13 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.12 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 72.23 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 55.42 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.579 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 64.32 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 70.4 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 55.23 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.559 ' HA ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 70.31 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 60.43 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.13 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.01 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 73.42 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.11 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.45 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 51.13 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 73.44 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.35 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 70.3 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.52 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 72.43 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 70.15 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 72.22 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.32 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.13 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.432 HG22 ' HG ' ' A' ' 37' ' ' LEU . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.33 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.55 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 73.34 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 65.21 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 63.32 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.23 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 71.1 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.43 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.21 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.14 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 72.33 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.34 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.15 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.11 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.54 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 71.44 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 64.01 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 73.52 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 64.2 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.45 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 72.5 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.471 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 50.3 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.579 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 71.21 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.1 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 50.33 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.15 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.05 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 70.2 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 71.2 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.54 109.1 176.193 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 . . . . . 0 N--CA 1.478 0.934 0 CA-C-O 120.539 0.209 . . . . 70.22 111.116 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 52.52 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 72.5 109.594 -172.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' PHE . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 64.5 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 71.15 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 72.02 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.22 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.35 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.43 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t . . . . . 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.4 109.355 -178.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p . . . . . 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.42 108.585 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 71.34 109.327 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 62.21 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.34 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 72.22 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.41 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.54 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.45 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 71.33 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.31 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.43 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 53.34 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.454 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 65.43 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.44 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.42 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 64.33 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.22 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.34 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.31 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 71.12 112.042 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.32 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 74.43 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 45.25 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 53.33 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.02 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 61.34 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 72.05 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 64.42 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 61.3 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.03 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 41.13 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.33 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.15 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 54.32 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 72.12 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 71.54 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.11 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.44 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.03 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.01 109.71 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.1 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 72.21 109.843 -166.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 63.44 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 74.41 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 70.34 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.14 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 72.34 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 61.02 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HB2' HD13 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.42 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 72.52 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.43 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.4 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.35 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.4 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.54 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.32 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 64.21 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 51.2 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.14 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 60.23 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 70.31 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.44 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 63.51 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.22 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 54.23 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.21 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.22 112.61 167.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.15 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.44 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.61 ' HB3' HG13 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 54.1 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.54 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.47 HG22 HG13 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 62.43 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.04 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.22 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.33 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.12 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 64.35 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 72.24 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 72.33 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.11 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.54 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 54.31 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.12 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.4 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 54.13 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.32 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp . . . . . 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 64.32 107.602 169.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 . . . . . 0 N--CA 1.471 0.58 0 CA-C-O 120.972 0.415 . . . . 54.24 109.984 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 63.55 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.31 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.44 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.33 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.34 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.421 ' HE3' ' OG1' ' A' ' 22' ' ' THR . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 71.4 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.14 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.44 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.0 t . . . . . 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 64.41 108.682 -178.722 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 47' ' ' LYS . 27.8 m . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.045 -0.354 . . . . 73.03 110.045 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.421 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.53 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.703 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.12 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.33 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.647 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 73.41 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.05 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.44 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.52 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 73.52 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 44.25 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 60.33 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 71.42 111.508 174.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.42 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.21 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.22 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 65.04 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 52.33 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.43 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 60.12 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' LEU . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 65.14 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 53.44 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 71.01 111.744 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 71.24 109.51 174.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 61.32 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 54.14 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 51.02 110.571 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.14 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.21 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 71.24 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 14.03 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 73.01 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.33 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.54 109.7 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 62.03 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 65.0 109.379 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.4 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.13 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.22 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.54 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.34 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.32 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 64.44 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 65.03 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.3 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.32 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.22 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 52.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.15 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.15 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.43 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.54 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 71.4 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.45 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 65.14 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.13 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.43 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 73.12 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.31 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 61.03 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 44.34 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 62.13 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 60.32 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 71.24 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.35 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.35 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 64.31 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 63.12 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 41.44 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 63.14 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 72.33 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 64.42 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 71.55 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 65.21 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.14 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.32 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.13 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.12 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 63.45 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.31 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.34 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.14 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 52.23 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.34 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.41 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 45.13 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 73.12 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 53.35 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp . . . . . 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.3 107.712 172.024 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 . . . . . 0 CA--C 1.545 0.759 0 CA-C-O 120.575 0.226 . . . . 75.2 111.2 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 HD23 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.32 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.04 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 63.55 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 61.21 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 61.11 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.42 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.44 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.41 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t . . . . . 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.24 112.218 -178.151 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m . . . . . 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 53.04 108.065 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 72.44 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 72.23 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 62.24 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 72.43 108.011 -179.09 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 64.12 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.523 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 53.41 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 61.34 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 64.44 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.34 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.32 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.13 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.45 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 73.14 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.34 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 72.03 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.0 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 71.44 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 71.31 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 65.45 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.44 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 72.12 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 62.04 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 54.33 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 74.35 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.573 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 70.21 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 72.3 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.12 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.22 110.1 -174.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.52 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.13 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 72.31 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.11 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 64.42 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.51 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 62.21 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 71.04 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.11 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.22 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 61.31 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 62.32 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.14 113.14 -175.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.42 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 60.42 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 64.4 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 71.55 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 55.14 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 61.53 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.51 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 61.43 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 54.31 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 65.24 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.11 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 73.14 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.43 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 71.23 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 64.34 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.42 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 54.3 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.12 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.34 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 72.15 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.41 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.01 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 74.21 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 62.24 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 63.4 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 70.22 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 71.14 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 62.03 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.54 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.01 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.448 HG22 HG13 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.44 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 55.34 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.51 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.2 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 65.31 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.34 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.21 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.3 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.41 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 74.33 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.41 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.25 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 72.21 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.33 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 90' ' ' ALA . 4.2 mp . . . . . 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 52.43 109.411 178.104 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 . . . . . 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.21 108.58 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 70.2 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.11 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 54.32 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.04 108.392 -167.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.481 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 62.42 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.52 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 p . . . . . 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.34 110.635 -173.17 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p . . . . . 0 N--CA 1.473 0.678 0 N-CA-C 112.132 0.419 . . . . 64.42 112.132 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.34 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 63.42 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 73.43 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.624 ' HG ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.52 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.513 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.44 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.43 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.51 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.55 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 51.53 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.11 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.53 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.14 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 73.13 110.607 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.01 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 62.1 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 72.14 110.941 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 51.53 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 54.31 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 65.31 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.23 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.31 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 65.03 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.35 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 30.22 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.42 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.42 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 44' ' ' ALA . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 65.42 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.11 109.752 175.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 71.44 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.34 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.15 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.44 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.41 113.566 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 72.03 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 62.22 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 73.2 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 54.21 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HD1' HG12 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.41 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 61.51 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 73.41 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 63.02 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.22 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 71.42 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.33 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.35 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.32 110.961 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HB2' HD13 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.52 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.44 110.893 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.12 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 60.34 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 65.21 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.4 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.45 111.18 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.34 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 63.43 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 65.44 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 76' ' ' TRP . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.11 109.078 173.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.21 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 65.31 110.96 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.52 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.417 ' CG2' HD11 ' A' ' 108' ' ' LEU . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 61.11 110.427 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.31 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD22 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 71.51 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 70.33 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 35.42 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 45.32 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 61.13 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 74.12 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.23 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 55.42 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.12 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 70.43 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 64.52 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 65.34 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.21 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.45 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 70.14 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.52 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 64.25 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 71.14 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 61.25 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 62.43 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 84' ' ' ILE . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 73.02 110.058 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.42 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp . . . . . 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 63.33 110.398 178.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 . . . . . 0 CA--C 1.546 0.826 0 CA-C-O 120.898 0.38 . . . . 74.23 110.917 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.34 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 74.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.34 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 64.22 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.12 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 74.33 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.01 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.45 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 49.0 t . . . . . 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.45 110.454 -178.161 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m . . . . . 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 71.34 109.114 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.14 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.41 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 70.43 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.02 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.44 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.01 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 41.32 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.21 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 51.22 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.02 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 51.4 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 51.25 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.14 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.22 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.14 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 64.54 110.476 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 72.33 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.55 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 62.24 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.24 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 72.33 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 63.33 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 53.45 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.744 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.43 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 64.22 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.535 HG23 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.42 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.45 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 72.23 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 51.52 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.424 ' HB2' HG12 ' A' ' 48' ' ' ILE . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.15 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.43 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 73.53 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.14 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 72.13 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 10' ' ' ILE . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 72.55 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.52 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 55.31 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 71.14 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 74.51 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.22 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.13 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 71.52 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.02 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.22 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.03 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.03 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.51 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 70.34 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.33 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 42.45 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 54.22 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' VAL . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.14 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.11 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.22 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.43 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.31 109.677 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 65.22 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 71.2 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.24 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.24 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.24 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.41 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.33 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 52.13 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.21 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 72.54 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 62.43 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.24 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.432 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.55 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 71.24 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 63.52 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.52 108.186 168.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 64.33 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.14 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 51.44 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 52.3 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.03 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 74.23 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 72.41 111.618 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 72.12 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.34 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 53.42 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 62.44 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 71.54 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? . . . . . 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 72.42 109.187 175.658 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 . . . . . 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 53.15 108.624 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.12 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.548 HG22 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 63.32 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 73.12 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.466 HG21 HG11 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.11 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 73.54 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.721 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 72.32 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.12 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p . . . . . 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 60.55 110.76 -175.786 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.468 0.471 0 N-CA-C 109.259 -0.645 . . . . 61.31 109.259 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 63.44 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.11 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 72.41 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.04 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.52 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.55 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.42 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.31 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.35 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.15 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.34 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.11 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 44.2 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.458 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.45 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 73.24 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.44 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.21 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 71.21 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.466 HG11 HG21 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 52.3 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.4 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.51 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.2 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.31 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 50.12 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.41 111.022 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.721 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 70.02 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.791 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 71.22 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.33 111.681 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.25 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.11 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 41.22 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 64.15 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.43 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 71.15 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 64.53 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.42 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.33 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.32 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 64.12 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.2 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 53.33 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.656 HD11 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.15 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 71.43 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.2 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.24 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 35.21 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.22 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 74.55 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.084 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.52 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.2 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.43 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.41 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 62.24 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.41 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 63.43 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 63.33 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.34 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.23 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 54.13 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.11 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.33 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 71.35 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.13 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 73.51 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 70.43 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 93' ' ' SER . 11.3 tp60 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.44 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.04 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.43 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.44 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 71.11 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.04 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 35.11 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 61.24 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 71.22 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.42 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.12 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 70.34 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 64.1 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.41 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 64.43 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.44 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 65.45 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp . . . . . 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.34 107.039 178.131 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 . . . . . 0 C--O 1.243 0.751 0 CA-C-O 120.803 0.335 . . . . 71.53 110.182 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 65.5 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.23 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 64.53 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 61.12 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 72.15 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.32 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 44.01 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.41 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t . . . . . 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.32 109.589 -169.433 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p . . . . . 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 64.35 109.491 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.31 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 72.22 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 61.34 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.21 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.31 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.439 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 73.24 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.33 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 72.51 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.13 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 43.24 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.12 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.05 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 73.55 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.34 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 65.4 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 74.34 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.42 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' HD13 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.44 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.44 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.43 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.23 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 73.13 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 64.32 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.3 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.72 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 61.24 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 61.12 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 70.24 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.35 111.764 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 63.53 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.41 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.72 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.33 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 108' ' ' LEU . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.42 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 72.24 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.32 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.23 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.22 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 63.31 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 62.2 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 71.34 111.679 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 73.11 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 65.14 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.32 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.15 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.21 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.4 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.695 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 64.4 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 64.21 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 62.22 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 41.12 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 71.41 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 53.24 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 74.52 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.3 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.2 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 65.01 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 61.42 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 54.34 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.04 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.507 HG22 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.43 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 60.31 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 65.43 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 73.52 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.23 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 70.23 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.11 109.993 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.31 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 70.15 111.172 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 71.3 112.514 -164.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.44 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 62.43 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 65.1 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 63.51 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.31 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 32.52 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 74.43 109.408 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 52.03 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 40.25 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 54.32 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.436 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.23 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.22 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 73.44 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 70.52 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.507 HD11 HG22 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 65.11 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.34 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? . . . . . 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.35 108.259 171.17 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 . . . . . 0 N--CA 1.475 0.781 0 N-CA-C 112.001 0.371 . . . . 75.33 112.001 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 61.21 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 74.14 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.45 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.52 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 44.22 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.35 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.12 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.12 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t . . . . . 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 72.3 109.907 175.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m . . . . . 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.21 107.567 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.3 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.24 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.21 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 44.14 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.32 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.44 109.674 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 73.22 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.31 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.04 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 73.12 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.55 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 76' ' ' TRP . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 54.43 111.451 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.638 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.03 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 61.31 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 60.13 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.54 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 71.34 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 84' ' ' ILE . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 65.23 110.684 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 64.12 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 72.2 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.13 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 52.12 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.12 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 62.33 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.34 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.42 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.33 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.22 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 52.23 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 61.24 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 70.32 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.14 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 HD13 ' A' ' 12' ' ' ILE . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.03 106.512 170.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 65.24 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.03 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.44 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.33 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 62.34 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 72.41 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 70.5 112.476 168.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 33.31 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.34 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 55.01 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 54.51 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 73.1 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 63.13 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.33 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 74.41 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.04 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.43 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 64.01 109.737 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.631 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.41 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.02 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 63.11 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.23 111.521 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 65.24 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.12 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.11 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 51.35 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.433 HD11 HG12 ' A' ' 40' ' ' VAL . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.21 108.688 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.42 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.51 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 62.34 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 61.52 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.11 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 54.53 112.538 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.34 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.13 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.14 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 72.23 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.33 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.42 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.33 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 70.0 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.01 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 71.41 112.207 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.24 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.465 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 72.34 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.44 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 51.53 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.54 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 24.33 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 44.25 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.42 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 55.11 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp . . . . . 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 72.25 108.681 177.501 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 . . . . . 0 CA--C 1.559 1.324 0 N-CA-C 112.561 0.578 . . . . 74.03 112.561 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.35 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.14 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.15 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.34 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.24 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.33 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 53.24 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 20.8 p . . . . . 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.02 108.953 -179.328 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t . . . . . 0 CA--C 1.538 0.495 0 CA-C-O 120.971 0.415 . . . . 64.23 110.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 71.33 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.23 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.3 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.671 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.21 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 61.35 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.518 ' HB2' HD22 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.12 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.35 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.34 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.23 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 42.42 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.13 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 61.54 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 70.51 111.533 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.01 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.41 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 71.31 110.999 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.12 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 73.41 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.01 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 62.52 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 64.3 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 30.14 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 63.24 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 51.01 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 73.32 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.7 HD13 HD11 ' A' ' 88' ' ' LEU . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.45 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.45 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 72.31 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 74.22 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 72.45 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 72.24 108.397 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.53 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.22 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 71.14 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 61.14 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.51 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 72.2 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.435 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.14 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 65.42 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 63.43 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.13 108.939 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.43 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 71.12 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 55.33 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 64.45 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 51.22 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.55 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 70.33 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 65.33 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 74.31 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 70.22 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 64.01 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 65.01 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.31 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.44 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.44 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 51.12 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.13 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.12 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 70.2 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.22 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.33 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.31 111.817 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.4 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.7 HD11 HD13 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 71.52 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.43 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.12 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 72.12 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.04 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' HG13 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 65.32 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.32 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.1 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 71.51 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 55.22 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.31 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.44 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.33 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 55.42 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.13 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.4 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 45.21 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.33 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.41 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 72.52 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.563 HD11 HG22 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.41 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 62.41 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? . . . . . 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 62.11 110.696 177.304 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 . . . . . 0 N--CA 1.476 0.864 0 N-CA-C 109.437 -0.579 . . . . 72.24 109.437 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HB1' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 54.42 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.01 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.626 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.24 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.14 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.1 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 62.05 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.594 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.35 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.21 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t . . . . . 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.21 111.201 -167.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m . . . . . 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.32 108.158 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 64.45 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.45 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.01 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 71.31 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.42 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 62.45 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.11 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 62.45 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.42 109.575 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 72.35 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.35 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 54.1 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 74.33 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.31 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.05 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' HG22 ' A' ' 80' ' ' VAL . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.34 110.026 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 71.14 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 54.44 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.12 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.24 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.43 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 64.11 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 53.14 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 54.14 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.02 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 64.43 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.3 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 63.51 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.22 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 65.13 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 62.23 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.672 ' HB2' HD13 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.15 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 73.52 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.2 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 64.32 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.13 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 62.34 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 63.1 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.31 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 74.54 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 65' ' ' LEU . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.11 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 60.11 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 33.4 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 71.44 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.23 105.544 -170.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.54 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.32 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 44.31 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 73.24 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.12 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.42 111.471 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.14 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.34 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 70.14 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.35 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 60.15 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.01 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.44 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.421 HG22 ' HG ' ' A' ' 37' ' ' LEU . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 62.41 111.276 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 63.32 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 53.2 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 61.12 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 64.41 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.35 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 52.45 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 61.51 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.51 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.14 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 53.31 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.14 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.01 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.23 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.21 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.45 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 64.24 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 63.42 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.21 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.53 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.24 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.42 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.4 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.11 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 55.03 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.2 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.41 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 61.22 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HG ' HG12 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 62.43 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.01 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp . . . . . 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.3 108.821 172.555 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.975 0.417 . . . . 73.52 111.492 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 43.22 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.22 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.02 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.23 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 64.04 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.01 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 HG13 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 65.53 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.1 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 53' ' ' CYS . 60.2 m . . . . . 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.34 112.861 -172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m . . . . . 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 71.42 108.271 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.34 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.12 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 52.44 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.32 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.31 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 53.41 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.14 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.34 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.4 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 72.44 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 33.15 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 70.04 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 71.35 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 62.11 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 79' ' ' GLU . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.04 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.35 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.55 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 53.55 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.04 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 53.21 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 70.34 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.2 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.35 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.34 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 73.12 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.14 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.22 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.3 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.51 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.41 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 61.02 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 64.54 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.23 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 60.25 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 64.52 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.43 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.34 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.2 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.23 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.33 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.721 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.43 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 60.41 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.23 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.34 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.31 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 51.35 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.23 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.3 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.13 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.55 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.12 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 74.44 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 70.43 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.34 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 70.45 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.14 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.51 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.34 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 71.15 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 64.42 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.12 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.32 112.002 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 61.41 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.41 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.54 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.04 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.2 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 72.22 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.552 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 71.13 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.44 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.43 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' HG22 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 72.14 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.12 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 73.11 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 61.22 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 63.01 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 60.05 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.44 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.14 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.33 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 65.22 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 70.02 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 55.33 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 63.42 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.757 HD22 ' HB1' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.53 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 71.13 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 88' ' ' LEU . 5.3 mp . . . . . 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.45 108.114 172.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.475 0.797 0 CA-C-O 120.487 0.184 . . . . 71.13 111.088 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 65.54 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.15 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.696 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 63.43 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.44 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.746 HG12 HD21 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 54.42 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 52.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.42 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 50.41 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t . . . . . 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.24 109.55 179.392 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t . . . . . 0 N--CA 1.474 0.747 0 CA-C-O 120.819 0.342 . . . . 72.11 110.849 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 62.22 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HE2' HG22 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.42 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.43 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.746 HD21 HG12 ' A' ' 10' ' ' ILE . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.05 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.42 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.31 110.343 178.075 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.14 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 55.01 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 65.12 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 65.24 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.05 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 62.23 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 71.2 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.54 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 51.44 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 73.13 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 72.34 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' HD13 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 74.05 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.537 HG13 HG21 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 64.42 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 51.2 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 53.25 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.32 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 72.34 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.52 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.3 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.722 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 61.12 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.793 HG21 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 63.15 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.1 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 47' ' ' LYS . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.55 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.12 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 61.15 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.55 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 63.23 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 65.45 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.507 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.33 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.31 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.51 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 71.01 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 73.34 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.33 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.51 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.24 111.469 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.35 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.34 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 65.22 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 64.11 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.32 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.11 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 62.35 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 64.35 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 60.35 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.12 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.22 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.33 111.175 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 52.34 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.41 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.33 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.42 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 41.13 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.35 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.43 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.53 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.12 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 63.34 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.33 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.793 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.11 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.15 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.44 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.42 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.51 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.44 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.04 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.22 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.44 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.23 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.21 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 42.24 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 52.43 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.45 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.51 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.04 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.32 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.34 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.52 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.04 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 51.22 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 64.32 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? . . . . . 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 . . . . . 0 C--O 1.243 0.717 0 CA-C-O 120.492 0.187 . . . . 73.12 110.499 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 71.45 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 70.55 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.51 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.55 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.2 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.13 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.04 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.53 109.394 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m . . . . . 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.04 109.691 175.78 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m . . . . . 0 N--CA 1.466 0.365 0 N-CA-C 109.099 -0.704 . . . . 71.43 109.099 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 72.15 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.33 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 62.42 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.13 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 71.23 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.53 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 73.51 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.44 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.41 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.45 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 44.04 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 72.33 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.45 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.2 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 65.22 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.23 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 62.04 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.22 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 42.4 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.02 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.22 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.21 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 51.04 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.11 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 64.51 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 88' ' ' LEU . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.42 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 71.33 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.42 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 51.04 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.22 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.12 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 53.14 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.24 108.853 176.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.32 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.23 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.45 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 71.55 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.13 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.23 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 64.04 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 63.22 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.35 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.33 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.01 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.45 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.21 112.292 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.51 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 65.12 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.3 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 72.55 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.32 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 73.53 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 52.42 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.32 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 73.31 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 70.52 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 33.21 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.42 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.32 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 63.34 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 50.54 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.45 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.24 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.11 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.53 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.1 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.12 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.21 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 63.23 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.34 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 71.34 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 61.53 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 64.5 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 23.33 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.15 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.3 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.11 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.41 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 73.41 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.43 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 63.44 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 61.14 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 54.42 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.33 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 72.21 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp . . . . . 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 65.31 110.147 177.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.43 113.244 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.23 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 72.21 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.718 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 71.04 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 71.5 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 HD21 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.34 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 63.23 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' HD3' ' A' ' 47' ' ' LYS . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.4 107.774 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.52 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t . . . . . 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 64.04 110.654 -171.098 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p . . . . . 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 70.41 108.68 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 72.15 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.44 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 63.25 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.718 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.42 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.31 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.13 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.34 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.14 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 64.14 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 54.41 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.22 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.44 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 63.34 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 63.54 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 61.0 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 74.33 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.34 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 71.14 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.4 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 54.52 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.03 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.22 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.52 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.43 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 12' ' ' ILE . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.15 111.667 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.04 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.14 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.24 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.21 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 51.12 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 73.12 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.43 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 63.22 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.41 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.41 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 64.34 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.23 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 72.32 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 50.34 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 73.01 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 51.21 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.13 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 63.32 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.12 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.55 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.11 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.34 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 72.5 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.33 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 62.23 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.53 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.13 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 53.33 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.44 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' TRP . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 73.13 111.072 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.33 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 72.24 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.53 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.23 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 53.4 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.14 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.25 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.43 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 71.03 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.31 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 62.41 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.22 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 73.32 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG22 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.42 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.44 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.4 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 62.3 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.02 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 64.43 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.51 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.41 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 53.4 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.22 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 65.45 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.533 HD22 ' HB1' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.11 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 70.33 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp . . . . . 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 48.2 tt0 . . . . . 0 C--O 1.238 0.449 0 CA-C-O 120.785 0.326 . . . . 62.53 110.574 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.41 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.76 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.55 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.01 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.22 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.4 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.82 HG21 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 74.33 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.53 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t . . . . . 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.01 108.511 178.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.405 HG23 ' HB ' ' A' ' 12' ' ' ILE . 5.0 t . . . . . 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 54.22 109.609 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.3 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.44 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.41 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.76 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 62.14 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.31 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.486 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.51 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 62.12 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.04 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 62.01 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.44 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 61.1 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.23 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 72.34 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.4 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.14 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 61.01 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.21 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.43 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 61.11 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 50.33 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 65.42 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.41 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.21 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.23 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.31 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.82 ' HG3' HG21 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.43 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.765 HD13 HD11 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.12 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 61.2 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 73.04 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.42 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 24.4 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.45 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 72.42 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.22 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.35 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 72.43 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 61.34 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 73.43 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' HG12 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.24 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.33 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 71.12 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.12 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.4 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.22 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.42 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 62.35 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 73.21 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.2 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 64.4 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 52.11 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 71.52 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.53 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.0 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.41 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 73.43 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.22 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.33 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.41 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.35 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.14 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 64.35 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 71.21 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 72.24 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 41.11 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 55.33 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.45 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.765 HD11 HD13 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.24 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.53 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.12 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.22 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 74.13 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.12 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.14 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.44 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.44 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 54.41 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.24 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.34 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.12 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 44.24 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.41 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.04 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 63.31 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 45.03 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 61.52 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.21 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 65.41 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.23 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? . . . . . 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.4 110.403 -178.591 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 . . . . . 0 CA--C 1.545 0.759 0 N-CA-C 109.869 -0.419 . . . . 71.24 109.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 61.44 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.33 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.24 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 63.34 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' THR . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 53.42 109.868 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.31 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.22 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p . . . . . 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 64.5 109.505 177.471 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 94.9 m . . . . . 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 54.2 107.781 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.21 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 63.02 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 73.05 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.55 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 70.52 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HB3' HD12 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 70.25 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 62.42 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 63.24 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 53.4 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.24 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 51.11 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.01 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.51 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.15 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.11 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 62.34 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 71.35 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.12 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.13 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 62.21 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 72.44 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 63.13 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 52.33 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.21 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 64.35 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.33 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 51.11 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.21 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.23 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 51.15 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.12 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.3 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.45 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 64.22 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 62.11 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.34 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.1 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.11 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.3 109.286 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 65.24 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.45 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 64.02 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.13 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.14 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.42 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 65.33 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.24 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.23 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.42 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.14 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.53 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 43.21 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.41 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 95' ' ' THR . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 64.11 110.592 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 53.42 111.866 -175.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 76' ' ' TRP . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 74.41 109.38 171.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.13 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.42 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.11 108.865 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.11 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.21 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.03 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.2 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 73.34 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.31 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.42 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.41 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' A' ' 93' ' ' SER . 8.4 tp60 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 60.31 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 71.03 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.11 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.51 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.31 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.31 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 64.05 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.31 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 61.22 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 72.21 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.14 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 53.31 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ILE . . . . . 0.42 HG22 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 64.11 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 71.53 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG3' HG22 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.32 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 54.11 108.92 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.2 mtt . . . . . 0 N--CA 1.479 1.016 0 N-CA-C 108.682 -0.859 . . . . 71.14 108.682 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.83 -36.76 0.11 Allowed 'General case' 0 N--CA 1.486 1.37 0 N-CA-C 112.115 0.413 . . . . 62.21 112.115 -177.704 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 101.05 6.59 51.62 Favored Glycine 0 N--CA 1.475 1.264 0 CA-C-N 116.365 -0.379 . . . . 64.53 112.391 -171.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 21.4 tptm -75.94 -36.17 59.46 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 124.756 1.223 . . . . 72.23 108.942 169.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.47 127.27 31.93 Favored 'General case' 0 C--O 1.242 0.661 0 CA-C-N 114.511 -1.222 . . . . 72.43 109.475 -172.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.611 HD11 ' HB1' ' A' ' 69' ' ' ALA . 29.7 mt -77.94 97.52 5.35 Favored 'General case' 0 C--O 1.235 0.317 0 N-CA-C 109.29 -0.633 . . . . 62.5 109.29 -178.159 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 34.5 ttt180 -98.06 109.88 22.55 Favored 'General case' 0 N--CA 1.465 0.308 0 CA-C-N 115.675 -0.693 . . . . 71.3 109.135 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.601 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -102.69 122.6 55.24 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 N-CA-C 108.55 -0.908 . . . . 72.34 108.55 -179.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -115.5 101.66 9.08 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 108.51 -0.922 . . . . 64.11 108.51 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.645 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 40.9 mm -90.96 123.26 43.04 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 N-CA-C 109.143 -0.688 . . . . 54.5 109.143 -176.704 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 16.5 mmmt -102.56 113.53 26.97 Favored 'General case' 0 N--CA 1.476 0.841 0 C-N-CA 124.376 1.07 . . . . 73.41 108.413 -179.772 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 48.6 mm -105.01 112.66 39.56 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.078 0 N-CA-C 108.706 -0.85 . . . . 72.52 108.706 174.335 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -91.02 104.42 17.01 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-O 121.164 0.507 . . . . 75.25 109.64 179.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.482 ' HA ' ' SG ' ' A' ' 53' ' ' CYS . 52.1 t -101.09 32.91 3.04 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.92 0.888 . . . . 74.25 108.724 172.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.89 83.02 0.64 Allowed Glycine 0 C--N 1.353 1.509 0 N-CA-C 109.926 -1.27 . . . . 61.31 109.926 -168.171 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 51.7 t30 -60.79 104.62 0.37 Allowed 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.962 0.905 . . . . 74.31 110.908 -173.694 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -120.27 -52.43 2.17 Favored 'General case' 0 N--CA 1.474 0.765 0 C-N-CA 124.753 1.221 . . . . 55.43 110.251 -175.499 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -85.23 -70.57 0.58 Allowed 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 115.732 -0.667 . . . . 74.43 110.275 -179.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -151.63 146.29 25.71 Favored 'General case' 0 C--O 1.24 0.588 0 C-N-CA 123.468 0.707 . . . . 64.21 109.768 -177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.9 pt-20 -59.72 128.46 37.08 Favored 'General case' 0 CA--C 1.546 0.795 0 C-N-CA 123.798 0.839 . . . . 73.51 109.773 171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 82.4 p -91.81 104.41 16.86 Favored 'General case' 0 C--O 1.235 0.34 0 N-CA-C 108.319 -0.993 . . . . 72.21 108.319 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 41.3 p -103.08 126.3 50.19 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-N 114.947 -1.024 . . . . 55.31 109.308 -177.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.645 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 96.0 m-85 -107.54 125.67 51.59 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 108.764 -0.828 . . . . 75.24 108.764 179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -96.51 120.72 37.35 Favored 'General case' 0 N--CA 1.472 0.633 0 O-C-N 123.978 0.799 . . . . 73.34 109.409 -177.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.601 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 1.1 pt? -149.07 152.67 36.6 Favored 'General case' 0 C--N 1.327 -0.381 0 C-N-CA 123.583 0.753 . . . . 75.51 109.271 176.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.1 m-85 -131.5 143.0 50.08 Favored 'General case' 0 C--O 1.242 0.68 0 C-N-CA 123.834 0.854 . . . . 74.52 108.89 -175.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 -116.7 146.24 42.9 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 109.223 -0.658 . . . . 65.54 109.223 178.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.1 t -154.53 -55.52 0.1 Allowed 'General case' 0 N--CA 1.467 0.404 0 N-CA-C 107.774 -1.195 . . . . 70.2 107.774 176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.507 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 2.9 mptp? -90.68 147.49 23.24 Favored 'General case' 0 C--O 1.245 0.821 0 N-CA-C 107.727 -1.212 . . . . 65.43 107.727 169.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.37 -27.89 68.88 Favored 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 123.956 0.902 . . . . 54.05 110.773 174.352 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -67.54 -39.28 85.0 Favored 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 124.186 0.995 . . . . 71.53 110.888 178.047 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.507 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 54.0 mt-10 -65.9 -44.89 83.9 Favored 'General case' 0 C--N 1.353 0.752 0 CA-C-N 115.668 -0.696 . . . . 74.34 109.651 174.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -54.82 -43.19 72.73 Favored 'General case' 0 C--N 1.354 0.8 0 O-C-N 124.118 0.886 . . . . 72.12 110.174 177.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 2.1 mmpt? -66.46 -33.04 74.8 Favored 'General case' 0 CA--C 1.547 0.827 0 N-CA-C 112.955 0.724 . . . . 64.25 112.955 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.454 ' O ' ' HG3' ' A' ' 39' ' ' LYS . 1.6 tm-20 -71.56 -48.85 45.81 Favored 'General case' 0 CA--C 1.544 0.75 0 N-CA-C 108.609 -0.886 . . . . 63.13 108.609 -178.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.607 HD13 ' HD3' ' A' ' 39' ' ' LYS . 3.5 mm? -62.9 -30.24 71.38 Favored 'General case' 0 N--CA 1.478 0.968 0 C-N-CA 123.897 0.879 . . . . 74.2 111.787 173.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.7 tt -57.37 -52.92 63.39 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 124.036 0.934 . . . . 70.12 111.767 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -70.28 -30.02 66.94 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 123.878 0.736 . . . . 72.41 111.064 179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.607 ' HD3' HD13 ' A' ' 36' ' ' LEU . 30.5 mtpp -65.34 -55.31 18.9 Favored 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 122.336 0.254 . . . . 71.41 111.631 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.11 -42.5 88.38 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 C-N-CA 123.234 0.613 . . . . 61.1 111.013 -175.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.581 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -69.77 -32.06 70.36 Favored 'General case' 0 CA--C 1.549 0.93 0 N-CA-C 112.696 0.628 . . . . 75.11 112.696 -175.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -73.98 -53.51 9.91 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 122.716 0.406 . . . . 73.54 110.496 174.277 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.4 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 7.6 mmpt? -65.63 -29.96 70.61 Favored 'General case' 0 N--CA 1.479 0.98 0 O-C-N 123.786 0.678 . . . . 65.22 112.194 -172.348 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -65.59 -51.24 61.24 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 123.596 0.56 . . . . 73.03 109.895 174.136 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -58.83 -30.85 67.97 Favored 'General case' 0 N--CA 1.481 1.113 0 C-N-CA 124.155 0.982 . . . . 63.15 112.109 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 73.6 m-20 -65.04 -36.3 83.91 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.704 0.628 . . . . 73.32 111.509 176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.1 mmtp -71.37 -39.76 71.03 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.26 0.624 . . . . 75.45 110.163 179.069 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.57 ' HA ' ' H ' ' A' ' 53' ' ' CYS . 24.0 mt -65.07 -29.21 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.778 0 CA-C-N 114.489 -1.232 . . . . 60.31 110.839 -179.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -51.84 -39.03 58.16 Favored 'General case' 0 CA--C 1.56 1.365 0 C-N-CA 124.247 1.019 . . . . 74.24 112.701 -178.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -91.22 -52.5 4.79 Favored 'General case' 0 N--CA 1.489 1.484 0 N-CA-C 112.14 0.422 . . . . 72.54 112.14 -173.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -98.96 -18.16 17.97 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 123.183 0.593 . . . . 62.34 112.309 -169.198 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 71.98 51.08 15.63 Favored Glycine 0 C--N 1.338 0.677 0 N-CA-C 110.676 -0.97 . . . . 74.32 110.676 -167.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.57 ' H ' ' HA ' ' A' ' 48' ' ' ILE . 20.1 m -63.11 86.28 0.03 OUTLIER 'General case' 0 CA--C 1.548 0.897 0 C-N-CA 124.375 1.07 . . . . 73.25 110.9 -179.299 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.488 ' HB2' ' O ' ' A' ' 108' ' ' LEU . 36.0 pttt -95.94 2.82 53.79 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 124.478 1.111 . . . . 73.11 111.963 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -109.25 116.06 31.18 Favored 'General case' 0 C--O 1.235 0.327 0 N-CA-C 108.932 -0.766 . . . . 71.25 108.932 166.616 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.7 t -126.95 141.15 47.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 N-CA-C 106.728 -1.582 . . . . 74.43 106.728 172.302 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.513 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 25.5 mtpp -134.51 120.76 20.1 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.179 0.591 . . . . 74.53 109.464 179.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.409 ' HB ' ' O ' ' A' ' 104' ' ' VAL . 94.6 mt -103.86 114.22 42.87 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.527 0 N-CA-C 108.078 -1.082 . . . . 71.15 108.078 176.042 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 95.9 mtt180 -112.73 137.98 50.23 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 108.455 -0.942 . . . . 62.43 108.455 174.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.433 ' CD1' HG22 ' A' ' 8' ' ' VAL . 46.2 t80 -144.05 136.57 26.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.949 -0.76 . . . . 71.32 108.949 -176.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -103.61 134.49 46.87 Favored 'General case' 0 N--CA 1.473 0.684 0 N-CA-C 109.351 -0.611 . . . . 72.42 109.351 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 1.9 pptp? -155.09 147.02 23.49 Favored 'General case' 0 C--O 1.24 0.575 0 O-C-N 123.899 0.749 . . . . 63.41 109.918 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 25.2 ttmm -164.18 -68.98 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.476 0 N-CA-C 109.203 -0.665 . . . . 51.45 109.203 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.53 50.52 2.07 Favored Glycine 0 C--N 1.337 0.617 0 CA-C-N 115.484 -0.78 . . . . 51.13 112.526 -176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -105.97 160.48 15.25 Favored 'General case' 0 N--CA 1.472 0.655 0 CA-C-O 121.073 0.463 . . . . 74.43 110.952 176.594 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -78.51 159.69 28.06 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 115.073 -0.967 . . . . 62.54 108.614 174.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -54.84 -36.14 64.73 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 124.145 0.978 . . . . 74.4 111.877 177.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -68.3 -49.14 62.49 Favored 'General case' 0 N--CA 1.468 0.469 0 C-N-CA 123.509 0.724 . . . . 64.35 110.356 177.382 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.611 ' HB1' HD11 ' A' ' 6' ' ' LEU . . . -57.12 -38.94 74.19 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.165 0.586 . . . . 72.53 111.835 179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -61.31 -43.22 99.24 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-N 115.202 -0.908 . . . . 64.25 110.448 175.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -70.03 -31.87 69.73 Favored 'General case' 0 CA--C 1.539 0.542 0 O-C-N 124.174 0.921 . . . . 72.23 111.351 -176.441 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 9.5 mmpt? -64.28 -52.67 57.45 Favored 'General case' 0 C--N 1.356 0.89 0 N-CA-C 109.427 -0.583 . . . . 72.04 109.427 -179.534 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.5 -30.71 67.57 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 114.675 -1.148 . . . . 70.15 112.369 -178.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.5 tmtp? -66.59 -53.8 30.51 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.392 0.677 . . . . 64.11 110.136 177.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -64.18 -36.13 83.04 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.284 0.634 . . . . 70.31 110.058 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 71.1 t90 -57.75 -53.5 57.45 Favored 'General case' 0 C--N 1.346 0.441 0 C-N-CA 124.404 1.082 . . . . 74.53 110.824 178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -57.36 -29.99 64.49 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 124.361 1.038 . . . . 73.54 111.895 -178.094 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 86.3 mt -74.22 -50.77 17.69 Favored 'General case' 0 CA--C 1.542 0.644 0 O-C-N 123.824 0.703 . . . . 63.23 111.027 176.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -71.11 -40.85 71.21 Favored 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 123.245 0.618 . . . . 71.54 112.246 -169.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.12 -35.46 75.47 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 O-C-N 123.417 0.448 . . . . 63.44 110.424 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.403 ' HB1' ' HB3' ' A' ' 93' ' ' SER . . . -66.7 -40.25 88.41 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 123.458 0.703 . . . . 73.25 111.439 177.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 24.8 m-80 -72.44 -28.08 62.72 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 123.806 0.842 . . . . 54.24 110.874 177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.581 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 8.0 tmtm? -72.68 -49.43 31.56 Favored 'General case' 0 N--CA 1.48 1.027 0 N-CA-C 109.135 -0.691 . . . . 65.42 109.135 178.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.47 HG22 HD11 ' A' ' 108' ' ' LEU . 97.8 mt -60.57 -36.91 73.29 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 124.169 0.988 . . . . 74.43 110.259 177.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.45 -44.27 83.27 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.591 -0.731 . . . . 62.1 110.93 172.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 8.5 t30 -59.9 -37.1 78.46 Favored 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 123.683 0.793 . . . . 71.34 111.751 -176.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.515 ' HB2' HD22 ' A' ' 88' ' ' LEU . 25.1 mm-40 -66.46 -47.88 71.72 Favored 'General case' 0 CA--C 1.541 0.619 0 O-C-N 123.646 0.591 . . . . 60.23 111.059 -177.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.515 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -96.7 -64.6 1.03 Allowed 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 122.59 0.356 . . . . 72.01 110.574 -173.536 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.68 -112.14 0.48 Allowed Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.602 -0.599 . . . . 45.21 111.602 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 59.97 -163.88 0.23 Allowed 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.229 1.012 . . . . 64.33 112.95 175.575 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 35.8 mtmm -112.42 -92.93 0.47 Allowed 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 108.948 -0.76 . . . . 63.14 108.948 169.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.3 mm-40 -135.21 173.6 11.54 Favored 'General case' 0 N--CA 1.483 1.201 0 CA-C-O 121.422 0.629 . . . . 75.12 111.507 -171.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.403 ' HB3' ' HB1' ' A' ' 81' ' ' ALA . 43.0 p -84.61 153.64 23.06 Favored 'General case' 0 C--O 1.242 0.69 0 CA-C-N 114.619 -1.173 . . . . 75.33 110.592 174.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 96.5 m -91.59 115.13 27.79 Favored 'General case' 0 CA--C 1.54 0.595 0 N-CA-C 108.248 -1.019 . . . . 74.41 108.248 174.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 61.7 p -106.17 130.72 53.99 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 123.577 0.751 . . . . 74.22 110.527 -173.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 28.1 m -134.82 113.97 12.13 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.96 1.304 . . . . 74.43 108.425 -179.043 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 14.8 t -93.94 145.43 24.64 Favored 'General case' 0 CA--C 1.543 0.71 0 N-CA-C 109.478 -0.564 . . . . 75.44 109.478 176.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -144.97 168.28 20.65 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.267 1.027 . . . . 74.22 108.425 -171.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -64.64 -59.06 8.66 Favored Glycine 0 C--N 1.348 1.201 0 O-C-N 123.287 0.367 . . . . 74.34 112.69 177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -90.89 -64.09 1.18 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.283 0.633 . . . . 63.4 109.942 -174.327 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.8 m -83.15 169.95 15.27 Favored 'General case' 0 CA--C 1.553 1.062 0 C-N-CA 123.515 0.726 . . . . 73.05 110.396 -178.121 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -140.09 108.22 5.76 Favored 'General case' 0 CA--C 1.534 0.359 0 N-CA-C 106.917 -1.512 . . . . 74.35 106.917 175.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tp10 -104.57 113.23 26.66 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.484 0.713 . . . . 63.04 109.853 -173.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.409 ' O ' ' HB ' ' A' ' 58' ' ' ILE . 68.9 t -127.29 102.99 10.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 N-CA-C 107.031 -1.47 . . . . 64.5 107.031 169.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.443 ' HA ' ' HA ' ' A' ' 57' ' ' LYS . 9.3 pt-20 -103.87 134.3 47.4 Favored 'General case' 0 N--CA 1.473 0.682 0 N-CA-C 107.958 -1.127 . . . . 62.01 107.958 -177.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.5 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.4 t -97.16 105.2 16.82 Favored 'Isoleucine or valine' 0 C--O 1.239 0.524 0 N-CA-C 107.762 -1.199 . . . . 65.54 107.762 -177.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 65.0 mt -93.87 99.36 9.44 Favored 'Isoleucine or valine' 0 C--O 1.246 0.911 0 N-CA-C 108.108 -1.071 . . . . 70.13 108.108 177.234 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.812 ' HB3' HD23 ' A' ' 110' ' ' LEU . 44.5 mt -83.33 129.24 34.99 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 115.411 -0.813 . . . . 71.41 109.707 178.523 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 30.6 mt-10 -90.28 83.35 5.96 Favored 'General case' 0 N--CA 1.468 0.436 0 N-CA-C 108.911 -0.774 . . . . 72.25 108.911 176.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.812 HD23 ' HB3' ' A' ' 108' ' ' LEU . 3.4 mm? -134.57 93.04 2.99 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.397 0.679 . . . . 75.11 110.048 -171.493 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 65.7 mm-40 -95.78 -49.53 5.3 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.308 0.643 . . . . 74.13 109.399 171.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 15.0 p80 -59.38 104.02 0.23 Allowed 'General case' 0 CA--C 1.553 1.083 0 CA-C-N 114.733 -1.121 . . . . 73.01 111.736 -178.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 41.6 m80 -140.74 155.31 46.47 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.999 0.92 . . . . 65.41 110.041 177.689 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 33.0 m80 59.21 40.13 21.93 Favored 'General case' 0 CA--C 1.554 1.131 0 C-N-CA 124.365 1.066 . . . . 74.43 113.026 169.74 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.5 m170 -67.25 100.22 0.78 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-O 120.944 0.402 . . . . 72.14 110.263 174.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 71.4 t60 -127.54 119.93 27.11 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 124.229 1.012 . . . . 62.21 108.787 -177.553 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 46.5 t-80 . . . . . 0 CA--C 1.556 1.203 0 N-CA-C 108.645 -0.872 . . . . 71.03 108.645 177.733 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.748 ' SD ' ' HB3' ' A' ' 28' ' ' SER . 28.7 ttt . . . . . 0 N--CA 1.487 1.406 0 N-CA-C 110.388 -0.227 . . . . 74.44 110.388 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -160.96 -58.79 0.05 Allowed 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 123.621 0.768 . . . . 70.25 109.215 178.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.79 121.5 0.48 Allowed Glycine 0 C--N 1.352 1.426 0 CA-C-N 115.257 -0.883 . . . . 64.02 112.369 178.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 60.0 tttp 66.32 97.35 0.05 Allowed 'General case' 0 N--CA 1.479 0.976 0 C-N-CA 124.881 1.273 . . . . 75.42 112.193 179.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 45.2 tt0 -164.16 -71.68 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 123.61 0.764 . . . . 63.11 109.828 175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 57.8 mt -81.59 99.41 8.83 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 123.507 0.723 . . . . 75.4 109.099 -176.601 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.515 ' HG2' ' HE1' ' A' ' 26' ' ' TYR . 20.5 mtm180 -80.37 120.03 23.87 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.586 0.754 . . . . 74.22 112.023 -166.369 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.445 HG22 ' CE1' ' A' ' 60' ' ' PHE . 3.2 t -110.87 120.71 62.19 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.466 0 N-CA-C 108.795 -0.817 . . . . 53.33 108.795 175.781 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -109.43 96.28 6.18 Favored 'General case' 0 N--CA 1.468 0.466 0 N-CA-C 108.767 -0.827 . . . . 73.54 108.767 174.505 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.541 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 34.0 mm -92.09 115.14 30.41 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.416 0 N-CA-C 108.048 -1.093 . . . . 63.05 108.048 178.105 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.9 mmtp -95.12 109.03 21.15 Favored 'General case' 0 C--O 1.236 0.378 0 N-CA-C 108.839 -0.8 . . . . 73.33 108.839 170.651 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.3 mm -97.64 108.99 22.63 Favored 'Isoleucine or valine' 0 C--O 1.237 0.426 0 N-CA-C 106.14 -1.8 . . . . 64.11 106.14 166.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.5 t70 -106.84 105.58 15.69 Favored 'General case' 0 N--CA 1.463 0.201 0 N-CA-C 107.652 -1.24 . . . . 62.05 107.652 177.086 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 47' ' ' LYS . 19.7 p -76.29 -31.15 58.08 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 123.639 0.587 . . . . 73.24 110.102 176.467 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 177.68 126.39 0.98 Allowed Glycine 0 C--N 1.34 0.761 0 N-CA-C 109.859 -1.296 . . . . 54.04 109.859 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 44.3 t30 -65.13 87.56 0.07 Allowed 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 123.638 0.775 . . . . 75.32 109.992 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -170.56 57.42 0.03 OUTLIER 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.183 0.993 . . . . 65.15 108.46 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 71.15 -9.77 0.84 Allowed 'General case' 0 N--CA 1.489 1.498 0 C-N-CA 125.826 1.65 . . . . 73.11 113.709 177.156 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.8 mttp -102.2 18.8 19.98 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.343 0.657 . . . . 64.23 112.46 -171.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -66.34 137.18 56.72 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 108.993 -0.743 . . . . 74.04 108.993 167.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 40.2 p -127.28 121.68 31.79 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 108.952 -0.758 . . . . 72.31 108.952 -171.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.3 m -108.44 130.04 55.25 Favored 'General case' 0 C--O 1.236 0.379 0 C-N-CA 122.882 0.473 . . . . 71.21 109.883 -175.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.541 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 78.2 m-85 -106.5 124.47 49.65 Favored 'General case' 0 C--N 1.33 -0.268 0 C-N-CA 123.255 0.622 . . . . 73.1 109.341 174.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -106.21 105.86 16.09 Favored 'General case' 0 C--O 1.237 0.425 0 N-CA-C 107.391 -1.337 . . . . 72.42 107.391 168.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.462 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.2 pt? -127.53 170.32 12.74 Favored 'General case' 0 C--N 1.317 -0.804 0 CA-C-N 114.883 -1.053 . . . . 62.15 108.549 179.675 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.515 ' HE1' ' HG2' ' A' ' 7' ' ' ARG . 77.2 m-85 -139.24 116.41 11.08 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.992 -1.114 . . . . 62.14 107.992 -177.031 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -80.21 133.68 36.04 Favored 'General case' 0 CA--C 1.549 0.922 0 N-CA-C 107.402 -1.333 . . . . 65.32 107.402 174.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.748 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 49.0 m -79.94 -56.06 4.52 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.514 0.197 . . . . 71.4 110.584 178.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 86.8 tttt -162.67 -68.1 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.83 0 CA-C-N 116.116 -0.493 . . . . 73.23 111.054 -179.32 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -145.09 -54.56 0.31 Allowed 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 122.809 0.443 . . . . 73.33 111.456 -173.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -65.89 -54.88 20.8 Favored 'General case' 0 N--CA 1.482 1.164 0 C-N-CA 122.945 0.498 . . . . 75.04 111.187 -176.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -69.0 -37.43 78.7 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 115.3 -0.864 . . . . 72.32 109.756 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.35 -42.73 78.25 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 123.962 0.789 . . . . 45.41 110.904 177.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 52.5 tttp -66.55 -35.14 79.51 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 123.751 0.82 . . . . 72.11 111.25 -177.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -68.99 -41.53 77.73 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 123.299 0.64 . . . . 63.53 110.696 174.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.5 mm? -66.47 -31.84 72.83 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 123.248 0.619 . . . . 64.2 111.074 177.353 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.478 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.0 tt -64.18 -45.42 88.45 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.311 1.044 . . . . 61.32 109.499 173.07 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttpp -65.35 -35.32 80.61 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 114.423 -1.262 . . . . 74.15 110.11 -179.286 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 31.5 mmtm -67.76 -48.98 64.84 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 124.233 0.958 . . . . 54.34 111.639 179.169 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 96.2 t -56.89 -42.87 79.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.163 0 CA-C-N 117.797 0.271 . . . . 63.33 110.352 177.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.0 -53.6 51.41 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 113.297 0.851 . . . . 74.05 113.297 -179.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -67.05 -37.39 84.0 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 122.951 0.501 . . . . 72.13 111.197 -175.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -77.02 -31.67 56.53 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 115.994 -0.548 . . . . 42.05 111.38 -176.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.47 -40.25 81.09 Favored 'General case' 0 N--CA 1.483 1.207 0 C-N-CA 123.284 0.634 . . . . 75.33 110.551 175.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -56.59 -29.76 62.46 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 124.457 1.103 . . . . 43.11 112.36 179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.417 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 44.9 m-20 -62.62 -49.34 75.59 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 123.085 0.554 . . . . 75.14 111.013 174.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.58 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 13.0 mptt -62.3 -30.47 71.17 Favored 'General case' 0 N--CA 1.49 1.533 0 C-N-CA 123.637 0.775 . . . . 73.12 110.423 -178.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.5 ' HA ' ' HA2' ' A' ' 52' ' ' GLY . 29.6 mm -66.49 -38.76 82.4 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-N 115.46 -0.791 . . . . 61.02 110.364 175.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.41 ' NZ ' ' HA ' ' A' ' 49' ' ' LYS . 0.6 OUTLIER -67.0 -31.44 71.99 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.424 0.69 . . . . 73.33 111.191 177.855 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.417 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 13.9 mptt -70.11 -40.7 74.73 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 123.126 0.57 . . . . 73.31 111.141 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 16.0 pt20 -167.32 -25.71 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 111.977 0.362 . . . . 61.13 111.977 -177.426 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.5 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 115.2 -152.39 18.11 Favored Glycine 0 C--N 1.335 0.501 0 N-CA-C 110.798 -0.921 . . . . 42.41 110.798 -176.257 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.555 ' SG ' HD12 ' A' ' 108' ' ' LEU . 32.0 p -172.23 145.94 1.8 Allowed 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 107.576 -1.268 . . . . 71.02 107.576 174.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 22.6 ptmt -103.94 -27.85 11.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 122.754 0.421 . . . . 75.31 110.823 177.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 23.9 ttt180 -148.59 120.92 8.41 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.243 0.544 . . . . 72.4 110.128 -176.563 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 63.5 t -110.54 142.24 23.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.325 0 C-N-CA 125.011 1.324 . . . . 73.43 107.474 171.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -122.77 117.57 25.98 Favored 'General case' 0 N--CA 1.467 0.413 0 N-CA-C 108.953 -0.758 . . . . 74.01 108.953 178.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.0 mt -99.41 113.06 33.38 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.7 0 N-CA-C 106.925 -1.509 . . . . 51.14 106.925 174.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 76.2 mtt180 -110.08 148.7 31.23 Favored 'General case' 0 C--O 1.241 0.656 0 N-CA-C 107.653 -1.24 . . . . 74.42 107.653 177.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.445 ' CE1' HG22 ' A' ' 8' ' ' VAL . 75.8 t80 -156.04 139.0 15.37 Favored 'General case' 0 C--N 1.321 -0.658 0 N-CA-C 108.599 -0.889 . . . . 71.05 108.599 -177.666 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.3 tt0 -82.66 104.27 12.8 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 122.822 0.449 . . . . 75.12 109.898 178.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -77.18 -20.51 55.31 Favored 'General case' 0 CA--C 1.555 1.162 0 N-CA-C 109.3 -0.63 . . . . 55.1 109.3 178.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 20.2 ttpp -58.47 113.68 2.1 Favored 'General case' 0 CA--C 1.555 1.136 0 C-N-CA 123.47 0.708 . . . . 71.43 110.601 178.213 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 117.35 -28.4 7.2 Favored Glycine 0 C--N 1.346 1.109 0 CA-C-N 115.71 -0.677 . . . . 63.34 112.786 -178.507 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 4.5 mp -95.63 109.6 21.83 Favored 'General case' 0 N--CA 1.473 0.701 0 C-N-CA 123.901 0.88 . . . . 74.04 109.945 -174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -72.26 -76.7 0.11 Allowed 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.546 0.738 . . . . 71.25 111.586 -177.352 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -138.24 -54.78 0.64 Allowed 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 122.987 0.515 . . . . 73.42 110.922 -175.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.456 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 30.5 t70 -61.8 -55.96 24.47 Favored 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 123.355 0.662 . . . . 51.25 111.241 -176.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.53 -35.98 81.58 Favored 'General case' 0 C--N 1.355 0.808 0 O-C-N 123.643 0.589 . . . . 33.54 110.849 178.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 50.6 ttp180 -58.46 -46.29 86.88 Favored 'General case' 0 N--CA 1.479 1.009 0 O-C-N 124.013 0.821 . . . . 73.23 110.947 179.101 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 38.4 ttpt -72.85 -32.06 65.19 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 123.958 0.786 . . . . 64.11 110.746 -175.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.456 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 44.1 mmtm -58.54 -52.01 67.47 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 109.31 -0.626 . . . . 64.33 109.31 172.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -64.91 -40.39 95.0 Favored 'General case' 0 N--CA 1.474 0.761 0 C-N-CA 124.932 1.293 . . . . 61.42 112.528 -178.01 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.433 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 86.2 tttt -69.14 -54.56 14.31 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.224 -0.898 . . . . 45.14 110.519 -176.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 15.2 tmtt? -63.41 -34.73 78.39 Favored 'General case' 0 N--CA 1.48 1.04 0 O-C-N 124.125 0.891 . . . . 71.24 109.967 -178.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.478 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 74.8 t90 -60.14 -55.73 30.25 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.001 0.92 . . . . 72.11 110.045 173.233 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.1 -30.2 71.4 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.091 0.957 . . . . 44.44 112.277 -176.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.433 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 75.4 mt -65.78 -45.91 80.71 Favored 'General case' 0 N--CA 1.475 0.785 0 O-C-N 123.679 0.612 . . . . 71.2 110.137 175.43 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.0 -30.38 63.74 Favored 'General case' 0 N--CA 1.476 0.868 0 CA-C-N 115.921 -0.581 . . . . 62.11 111.636 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 76' ' ' TRP . 89.5 t -64.11 -53.75 39.83 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.11 0 N-CA-C 108.409 -0.96 . . . . 61.44 108.409 174.206 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.88 -45.54 82.46 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-N 114.903 -1.044 . . . . 71.25 111.672 -179.065 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -74.06 -26.88 60.64 Favored 'General case' 0 N--CA 1.47 0.542 0 CA-C-N 115.058 -0.974 . . . . 75.41 111.501 -179.752 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.7 tptt -65.59 -52.96 48.15 Favored 'General case' 0 N--CA 1.478 0.952 0 CA-C-N 117.933 0.333 . . . . 74.43 110.266 179.715 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 3.1 mp -65.58 -41.51 90.89 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.091 0 N-CA-C 109.256 -0.646 . . . . 64.03 109.256 179.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.91 -38.28 85.17 Favored 'General case' 0 N--CA 1.484 1.241 0 C-N-CA 123.335 0.654 . . . . 74.1 112.175 178.557 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.2 t30 -75.31 -49.2 19.93 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.308 0.643 . . . . 70.53 110.289 -176.62 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 63.2 mm-40 -58.26 -41.64 84.7 Favored 'General case' 0 N--CA 1.476 0.862 0 O-C-N 123.88 0.738 . . . . 54.33 111.652 -177.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.625 ' HB3' HD21 ' A' ' 110' ' ' LEU . 42.1 mt -79.73 -28.41 40.51 Favored 'General case' 0 N--CA 1.471 0.605 0 CA-C-N 115.936 -0.575 . . . . 63.54 111.626 179.12 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.2 37.06 80.9 Favored Glycine 0 C--N 1.345 1.058 0 N-CA-C 111.754 -0.538 . . . . 32.4 111.754 -173.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.23 -156.61 0.51 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 123.941 0.896 . . . . 64.41 109.726 -178.746 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.548 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 34.6 mmtp -77.28 177.27 8.05 Favored 'General case' 0 N--CA 1.479 1.023 0 CA-C-N 117.969 0.349 . . . . 71.01 110.72 178.41 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.1 mm-40 -92.86 167.13 12.05 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-O 121.505 0.669 . . . . 71.31 111.451 -178.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.405 ' HB3' HG13 ' A' ' 106' ' ' VAL . 40.3 p -98.4 138.38 35.72 Favored 'General case' 0 C--O 1.239 0.533 0 CA-C-N 114.929 -1.032 . . . . 44.23 111.495 -175.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.1 t -94.39 126.68 39.81 Favored 'General case' 0 CA--C 1.55 0.975 0 N-CA-C 109.013 -0.736 . . . . 54.03 109.013 175.448 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.498 HG23 HG22 ' A' ' 104' ' ' VAL . 89.3 m -104.78 110.23 22.49 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.35 0.66 . . . . 74.5 110.624 -174.199 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 35.9 m -88.43 111.75 22.14 Favored 'General case' 0 C--O 1.241 0.653 0 C-N-CA 124.034 0.934 . . . . 60.13 109.234 172.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . 0.417 HG22 ' HE1' ' A' ' 102' ' ' PHE . 76.3 p -94.09 118.91 32.2 Favored 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 108.609 -0.885 . . . . 73.15 108.609 177.183 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -146.19 148.58 32.68 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 123.362 0.665 . . . . 61.15 109.467 -173.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -85.59 0.22 88.16 Favored Glycine 0 C--N 1.351 1.363 0 N-CA-C 115.148 0.819 . . . . 63.31 115.148 -170.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -120.74 -54.27 2.05 Favored 'General case' 0 N--CA 1.475 0.789 0 C-N-CA 123.664 0.786 . . . . 71.1 109.719 -178.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 38.4 m -132.07 108.21 9.16 Favored 'General case' 0 CA--C 1.535 0.371 0 C-N-CA 123.942 0.897 . . . . 74.41 108.703 178.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.417 ' HE1' HG22 ' A' ' 97' ' ' THR . 88.5 t80 -78.22 136.66 37.84 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.995 0.918 . . . . 71.42 108.689 174.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 44.6 tt0 -140.2 144.09 36.39 Favored 'General case' 0 N--CA 1.479 1.017 0 CA-C-O 120.836 0.351 . . . . 54.24 110.74 -177.693 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.498 HG22 HG23 ' A' ' 95' ' ' THR . 40.7 t -133.72 109.61 13.37 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.749 0 N-CA-C 107.829 -1.175 . . . . 73.44 107.829 171.119 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -94.04 119.24 32.63 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 109.283 -0.636 . . . . 74.33 109.283 179.389 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.405 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.8 t -98.28 104.74 16.32 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 N-CA-C 107.741 -1.207 . . . . 73.51 107.741 -178.837 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.548 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 63.9 mt -87.59 106.94 16.73 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.523 0 N-CA-C 107.781 -1.192 . . . . 72.02 107.781 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.555 HD12 ' SG ' ' A' ' 53' ' ' CYS . 67.1 mt -105.94 102.0 11.46 Favored 'General case' 0 C--O 1.219 -0.522 0 C-N-CA 123.458 0.703 . . . . 42.34 109.581 -174.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.81 92.22 3.96 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 109.698 -0.482 . . . . 72.4 109.698 -177.524 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.625 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.0 mp -99.06 52.76 0.97 Allowed 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 124.027 0.931 . . . . 71.03 109.25 -179.697 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 12.1 tp10 -78.27 89.44 4.32 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-N 115.737 -0.665 . . . . 63.13 109.578 179.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 19.6 p80 -125.59 21.07 7.83 Favored 'General case' 0 N--CA 1.479 0.995 0 CA-C-N 114.669 -1.15 . . . . 70.43 109.781 175.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 48.5 m80 66.89 99.73 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.033 1.333 . . . . 73.23 111.946 -177.682 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -137.89 147.22 44.23 Favored 'General case' 0 C--O 1.237 0.436 0 N-CA-C 107.583 -1.265 . . . . 72.33 107.583 171.539 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 21.1 m80 -89.45 59.42 4.79 Favored 'General case' 0 N--CA 1.479 1.019 0 C-N-CA 122.537 0.335 . . . . 72.52 110.38 -176.116 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.5 m170 67.28 -72.12 0.09 Allowed 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 125.331 1.452 . . . . 72.41 111.554 177.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 30.5 t60 . . . . . 0 C--O 1.247 0.93 0 C-N-CA 123.837 0.855 . . . . 70.5 109.271 173.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.0 ttt . . . . . 0 N--CA 1.48 1.033 0 N-CA-C 109.845 -0.428 . . . . 74.12 109.845 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.23 -71.47 0.31 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.966 0.906 . . . . 71.44 110.395 -178.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 179.7 -128.37 1.22 Allowed Glycine 0 C--N 1.342 0.9 0 N-CA-C 111.193 -0.763 . . . . 72.04 111.193 -175.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.639 ' HG2' ' H ' ' A' ' 5' ' ' GLU . 21.2 ttmm -169.05 -162.12 0.35 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 107.36 -1.348 . . . . 73.01 107.36 177.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.639 ' H ' ' HG2' ' A' ' 4' ' ' LYS . 36.2 mm-40 -59.12 86.41 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 124.011 0.925 . . . . 65.14 111.909 168.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.418 HD21 ' HB3' ' A' ' 65' ' ' LEU . 91.5 mt -115.75 95.26 5.05 Favored 'General case' 0 C--O 1.242 0.677 0 N-CA-C 107.245 -1.391 . . . . 72.42 107.245 171.289 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.477 ' NH1' ' HB3' ' A' ' 5' ' ' GLU . 0.0 OUTLIER -86.51 124.36 32.73 Favored 'General case' 0 CA--C 1.517 -0.294 0 N-CA-C 106.36 -1.719 . . . . 70.32 106.36 172.889 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.536 HG21 ' HG ' ' A' ' 25' ' ' LEU . 2.5 m -99.65 140.57 18.63 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.475 -1.306 . . . . 63.01 107.475 -178.556 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -115.34 92.71 4.01 Favored 'General case' 0 N--CA 1.466 0.342 0 N-CA-C 109.003 -0.74 . . . . 75.22 109.003 174.283 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 36.1 mm -92.52 127.52 44.65 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.323 0 N-CA-C 106.424 -1.695 . . . . 70.02 106.424 177.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.559 ' HE3' ' H ' ' A' ' 21' ' ' THR . 0.0 OUTLIER -130.36 114.35 15.48 Favored 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 109.021 -0.733 . . . . 73.34 109.021 -173.535 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 25.9 mm -104.02 121.79 56.02 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.912 0 N-CA-C 109.019 -0.734 . . . . 73.02 109.019 -179.67 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 20.9 t70 -108.5 109.95 21.33 Favored 'General case' 0 N--CA 1.479 0.994 0 N-CA-C 108.821 -0.807 . . . . 74.4 108.821 172.37 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 13.2 p -106.24 98.37 8.06 Favored 'General case' 0 C--O 1.244 0.768 0 C-N-CA 123.996 0.918 . . . . 30.23 109.891 -179.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 78.51 -65.04 3.47 Favored Glycine 0 C--N 1.35 1.325 0 CA-C-N 115.956 -0.565 . . . . 70.24 112.534 -177.095 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -169.97 84.35 0.12 Allowed 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 106.484 -1.673 . . . . 60.33 106.484 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -73.1 -54.67 7.93 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.171 0.588 . . . . 75.3 110.316 -177.358 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.5 t70 65.48 17.76 11.05 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 124.296 1.038 . . . . 73.23 112.627 172.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 mttp -136.54 142.22 43.42 Favored 'General case' 0 N--CA 1.484 1.235 0 N-CA-C 108.72 -0.844 . . . . 63.44 108.72 170.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -67.73 116.19 8.14 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 108.708 -0.849 . . . . 72.12 108.708 172.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.559 ' H ' ' HE3' ' A' ' 11' ' ' LYS . 63.5 m -124.02 104.43 8.88 Favored 'General case' 0 N--CA 1.463 0.224 0 N-CA-C 106.97 -1.493 . . . . 64.33 106.97 -177.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 97.2 m -136.3 133.5 36.97 Favored 'General case' 0 CA--C 1.536 0.419 0 C-N-CA 123.259 0.623 . . . . 75.45 111.417 -164.632 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 60.5 m-85 -112.35 126.07 54.88 Favored 'General case' 0 CA--C 1.538 0.518 0 N-CA-C 108.386 -0.968 . . . . 72.51 108.386 176.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -87.11 116.29 25.08 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.259 0.623 . . . . 45.44 109.877 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.708 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 55.2 mt -99.94 -61.43 1.37 Allowed 'General case' 0 N--CA 1.469 0.519 0 C-N-CA 124.17 0.988 . . . . 75.25 110.926 -169.038 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.2 m-85 68.05 135.1 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.989 1.431 . . . . 71.14 110.974 -169.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 48.6 m-85 -118.78 146.45 44.79 Favored 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 123.354 0.661 . . . . 74.21 109.919 -177.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 55.1 p -132.63 -62.24 0.83 Allowed 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.121 0.968 . . . . 72.51 110.352 -175.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 25.3 mtmt -138.33 175.87 9.19 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 125.297 1.439 . . . . 65.32 108.036 -178.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -67.99 -37.47 81.53 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.233 0.827 . . . . 73.53 113.233 -172.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -66.39 -48.31 70.55 Favored 'General case' 0 N--CA 1.486 1.325 0 C-N-CA 123.378 0.671 . . . . 75.33 110.766 -179.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 53.7 mt-10 -70.46 -36.8 74.1 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-N 115.07 -0.968 . . . . 64.43 110.87 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.78 -48.03 83.64 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 109.354 -0.61 . . . . 71.31 109.354 175.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' HA ' ' HB3' ' A' ' 37' ' ' LEU . 80.9 tttt -64.81 -28.53 69.63 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 123.556 0.742 . . . . 63.13 111.387 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.4 tp10 -61.44 -44.38 97.21 Favored 'General case' 0 CA--C 1.552 1.026 0 C-N-CA 122.916 0.486 . . . . 75.41 109.949 172.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.708 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.8 mm? -69.82 -31.23 69.0 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.748 0.419 . . . . 54.52 111.192 175.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' HA ' ' A' ' 34' ' ' LYS . 3.1 tt -57.87 -47.29 83.17 Favored 'General case' 0 N--CA 1.487 1.411 0 C-N-CA 123.48 0.712 . . . . 72.41 110.624 174.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 54.5 tttp -58.94 -50.32 74.51 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.579 1.152 . . . . 65.11 110.47 178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.458 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 99.0 mttt -62.33 -53.67 51.62 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 115.01 -0.995 . . . . 75.42 111.839 -176.419 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 73.5 t -61.67 -39.33 82.81 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.232 0 C-N-CA 123.605 0.762 . . . . 54.51 111.232 -177.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -59.19 -46.74 87.62 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 123.93 0.769 . . . . 51.13 111.0 179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -74.49 -42.29 59.23 Favored 'General case' 0 C--N 1.353 0.728 0 O-C-N 124.033 0.833 . . . . 53.13 111.999 -176.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.458 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 72.5 mmtt -69.6 -35.65 75.49 Favored 'General case' 0 N--CA 1.494 1.752 0 CA-C-O 120.778 0.323 . . . . 54.2 110.657 -176.634 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -70.21 -36.45 74.58 Favored 'General case' 0 C--N 1.345 0.412 0 CA-C-N 115.322 -0.854 . . . . 74.23 110.213 173.261 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.555 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -64.05 -32.18 73.64 Favored 'General case' 0 C--N 1.351 0.652 0 O-C-N 123.66 0.6 . . . . 61.42 110.926 177.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 65.7 m-20 -65.75 -37.9 87.65 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.531 0.732 . . . . 72.53 110.506 175.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 73.9 mmtt -64.8 -40.44 95.23 Favored 'General case' 0 N--CA 1.486 1.349 0 O-C-N 123.679 0.612 . . . . 74.15 110.141 177.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.74 HD13 HD11 ' A' ' 88' ' ' LEU . 18.0 mt -71.75 -33.57 48.93 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.892 0 O-C-N 124.218 0.949 . . . . 72.33 110.241 178.749 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 86.9 tttt -65.19 -45.75 83.55 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.375 0.67 . . . . 74.11 111.369 -177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.599 ' HG3' ' HG2' ' A' ' 51' ' ' GLN . 21.9 ptmt -74.03 -29.76 62.09 Favored 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 115.971 -0.559 . . . . 54.2 111.166 -178.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.599 ' HG2' ' HG3' ' A' ' 50' ' ' LYS . 24.9 pt20 -164.64 128.12 2.44 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.647 1.179 . . . . 53.2 108.789 178.092 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -52.12 143.79 19.92 Favored Glycine 0 N--CA 1.477 1.39 0 CA-C-O 119.672 -0.516 . . . . 64.05 113.096 -175.006 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.686 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 12.4 p -70.51 169.7 13.6 Favored 'General case' 0 N--CA 1.477 0.887 0 CA-C-N 117.416 0.608 . . . . 70.01 110.628 176.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 6.0 tmtm? -137.18 -50.57 0.64 Allowed 'General case' 0 N--CA 1.472 0.671 0 N-CA-C 107.82 -1.178 . . . . 74.13 107.82 177.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.428 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 25.0 ttm-85 -143.71 133.02 23.21 Favored 'General case' 0 N--CA 1.467 0.417 0 N-CA-C 109.211 -0.663 . . . . 70.33 109.211 177.516 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.46 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.7 t -114.53 142.28 27.85 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.548 0 N-CA-C 107.239 -1.393 . . . . 74.31 107.239 171.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.403 ' HG2' ' HG3' ' A' ' 105' ' ' GLU . 33.9 mtpt -133.71 119.77 19.74 Favored 'General case' 0 N--CA 1.464 0.237 0 N-CA-C 108.931 -0.766 . . . . 72.03 108.931 178.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.441 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 84.0 mt -101.6 112.2 33.87 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.418 0 N-CA-C 106.71 -1.589 . . . . 73.41 106.71 172.571 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 20.8 ttt180 -110.81 140.92 44.82 Favored 'General case' 0 N--CA 1.471 0.591 0 N-CA-C 107.477 -1.305 . . . . 73.53 107.477 176.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -155.91 141.29 17.64 Favored 'General case' 0 C--O 1.238 0.497 0 N-CA-C 109.531 -0.544 . . . . 74.13 109.531 -173.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 48.0 mt-10 -74.85 113.86 12.63 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.588 0.755 . . . . 73.03 110.609 -178.072 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.757 ' HE2' ' HA ' ' A' ' 98' ' ' ASP . 0.1 OUTLIER -107.64 37.87 2.31 Favored 'General case' 0 CA--C 1.554 1.11 0 N-CA-C 108.517 -0.92 . . . . 72.53 108.517 -178.032 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -124.89 -55.62 1.59 Allowed 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 115.69 -0.686 . . . . 75.14 110.588 -178.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.84 37.81 2.96 Favored Glycine 0 CA--C 1.53 0.978 0 CA-C-N 116.21 -0.45 . . . . 71.3 113.675 -177.222 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.63 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.6 OUTLIER -128.37 -176.52 3.84 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.628 0.771 . . . . 65.51 110.977 -179.754 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -119.91 171.72 8.23 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 125.188 1.395 . . . . 71.13 107.423 173.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -56.61 -32.47 65.32 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.992 0.917 . . . . 64.04 111.424 175.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.5 t70 -56.41 -53.71 54.23 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 124.695 1.198 . . . . 65.43 110.7 172.337 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.63 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -71.68 -30.52 65.77 Favored 'General case' 0 CA--C 1.545 0.771 0 CA-C-N 115.42 -0.809 . . . . 70.11 111.801 -178.139 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 18.8 ttm180 -56.66 -52.66 64.06 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 123.226 0.61 . . . . 53.02 109.396 171.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -64.68 -45.32 87.16 Favored 'General case' 0 CA--C 1.541 0.625 0 O-C-N 124.343 1.027 . . . . 74.24 111.455 -167.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 15.5 ptpt -75.95 -35.61 59.63 Favored 'General case' 0 CA--C 1.543 0.687 0 CA-C-N 115.967 -0.561 . . . . 71.12 111.938 -175.453 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -75.59 -29.85 59.41 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.948 0.499 . . . . 70.44 111.156 177.781 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.445 ' HA ' ' CZ ' ' A' ' 102' ' ' PHE . 59.4 tttp -63.78 -54.18 39.2 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 124.18 0.992 . . . . 63.3 109.417 175.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 58.8 tttp -58.82 -42.64 89.65 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 124.669 1.231 . . . . 61.53 110.889 177.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 91.0 t90 -57.7 -57.46 12.62 Favored 'General case' 0 C--N 1.354 0.791 0 O-C-N 124.377 1.048 . . . . 72.01 111.218 -178.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -71.08 -28.79 64.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 123.345 0.658 . . . . 71.15 112.345 -170.324 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.76 -46.98 79.86 Favored 'General case' 0 N--CA 1.472 0.661 0 O-C-N 123.897 0.748 . . . . 61.01 110.135 171.667 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -69.76 -31.1 68.87 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.201 0.6 . . . . 75.44 112.307 -179.357 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.2 t -74.86 -40.06 45.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.357 0 C-N-CA 123.513 0.725 . . . . 65.33 110.278 177.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.73 -49.14 77.56 Favored 'General case' 0 N--CA 1.47 0.557 0 O-C-N 124.064 0.853 . . . . 71.11 110.547 173.664 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 22.5 m-80 -73.35 -27.38 61.47 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 114.948 -1.024 . . . . 72.1 111.968 178.523 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.483 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.2 tptt -66.68 -55.27 15.92 Favored 'General case' 0 N--CA 1.481 1.107 0 N-CA-C 109.579 -0.526 . . . . 71.44 109.579 -178.699 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.428 ' O ' ' HG ' ' A' ' 88' ' ' LEU . 96.6 mt -61.53 -42.7 94.99 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.894 0 O-C-N 124.396 1.06 . . . . 72.52 109.522 178.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.01 -33.96 71.33 Favored 'General case' 0 CA--C 1.548 0.884 0 C-N-CA 123.793 0.837 . . . . 72.05 112.182 176.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -76.42 -44.05 37.6 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 124.153 0.981 . . . . 70.44 111.376 178.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.483 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 7.6 mm-40 -63.09 -31.91 73.16 Favored 'General case' 0 N--CA 1.481 1.113 0 O-C-N 123.548 0.53 . . . . 75.35 110.437 -176.603 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.74 HD11 HD13 ' A' ' 48' ' ' ILE . 38.5 mt -88.17 -34.57 17.79 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.491 -0.777 . . . . 73.23 110.118 175.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.47 32.54 75.37 Favored Glycine 0 C--N 1.346 1.125 0 CA-C-N 115.351 -0.841 . . . . 54.52 112.106 -175.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -94.7 -85.65 0.3 Allowed 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 122.913 0.485 . . . . 55.21 111.799 -171.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.5 ' HB2' HD23 ' A' ' 108' ' ' LEU . 31.0 mmmt -131.71 -179.25 5.27 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 123.635 0.774 . . . . 72.22 109.907 -168.238 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 55.5 mm-40 -100.68 -172.49 2.2 Favored 'General case' 0 N--CA 1.478 0.945 0 CA-C-O 121.677 0.751 . . . . 74.33 111.56 175.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.56 ' HB2' HG13 ' A' ' 106' ' ' VAL . 45.9 t -121.25 152.98 38.24 Favored 'General case' 0 C--O 1.239 0.536 0 C-N-CA 123.976 0.91 . . . . 64.13 110.463 177.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.4 t -99.99 139.97 34.89 Favored 'General case' 0 CA--C 1.545 0.778 0 N-CA-C 107.645 -1.242 . . . . 64.21 107.645 164.579 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.772 HG23 HG22 ' A' ' 104' ' ' VAL . 92.1 m -130.71 114.66 15.65 Favored 'General case' 0 N--CA 1.476 0.846 0 O-C-N 122.2 -0.313 . . . . 73.34 111.287 -175.354 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.3 m -87.42 108.63 19.09 Favored 'General case' 0 CA--C 1.539 0.531 0 N-CA-C 108.233 -1.025 . . . . 54.34 108.233 166.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 12.2 t -103.5 135.23 45.48 Favored 'General case' 0 C--O 1.245 0.838 0 N-CA-C 107.943 -1.132 . . . . 71.13 107.943 173.423 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.757 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 3.1 m-20 62.8 -159.89 0.31 Allowed 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 123.455 0.702 . . . . 63.51 112.517 177.467 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 78.91 -83.14 1.29 Allowed Glycine 0 C--N 1.355 1.627 0 N-CA-C 110.903 -0.879 . . . . 63.2 110.903 -171.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -157.17 119.45 3.87 Favored 'General case' 0 N--CA 1.471 0.603 0 C-N-CA 124.635 1.174 . . . . 73.0 107.982 173.322 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.0 m 63.54 133.01 0.01 OUTLIER 'General case' 0 CA--C 1.556 1.201 0 C-N-CA 125.46 1.504 . . . . 54.54 112.549 -179.008 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.445 ' CZ ' ' HA ' ' A' ' 74' ' ' LYS . 49.1 t80 -84.82 115.54 22.8 Favored 'General case' 0 CA--C 1.546 0.813 0 N-CA-C 109.712 -0.477 . . . . 54.02 109.712 179.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.436 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 32.8 tt0 -131.53 118.95 20.85 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 122.865 0.466 . . . . 63.32 110.561 -177.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.772 HG22 HG23 ' A' ' 95' ' ' THR . 43.2 t -113.18 106.63 21.13 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.673 0 C-N-CA 124.362 1.065 . . . . 73.54 108.226 174.227 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.403 ' HG3' ' HG2' ' A' ' 57' ' ' LYS . 33.7 tt0 -104.71 113.73 27.5 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 109.649 -0.5 . . . . 60.54 109.649 -175.535 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.56 HG13 ' HB2' ' A' ' 93' ' ' SER . 2.4 t -100.23 107.84 21.75 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 123.851 0.861 . . . . 72.02 109.15 -174.403 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 35.6 mm -91.56 98.25 8.17 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 N-CA-C 109.679 -0.489 . . . . 71.02 109.679 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.58 HD13 HD12 ' A' ' 88' ' ' LEU . 28.0 mt -123.7 100.48 6.8 Favored 'General case' 0 N--CA 1.478 0.941 0 N-CA-C 108.676 -0.861 . . . . 75.22 108.676 -178.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -97.14 84.81 3.57 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 118.144 0.429 . . . . 64.41 110.628 -176.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.49 HD13 ' SG ' ' A' ' 53' ' ' CYS . 7.9 mp -97.29 -25.38 15.27 Favored 'General case' 0 N--CA 1.487 1.418 0 C-N-CA 123.434 0.693 . . . . 71.12 110.321 178.466 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -91.21 131.02 37.01 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.748 -0.834 . . . . 74.25 108.748 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 16.2 p80 -90.96 53.9 2.5 Favored 'General case' 0 N--CA 1.476 0.871 0 C-N-CA 124.022 0.929 . . . . 74.01 109.119 175.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -72.99 114.4 11.1 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 114.616 -1.175 . . . . 74.43 108.527 -178.133 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 89.4 m-70 -71.12 86.44 0.75 Allowed 'General case' 0 N--CA 1.475 0.8 0 O-C-N 124.122 0.889 . . . . 64.5 111.687 -168.228 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -145.14 82.53 1.66 Allowed 'General case' 0 C--O 1.239 0.504 0 N-CA-C 105.716 -1.957 . . . . 65.04 105.716 171.069 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 14.8 t-160 -66.33 90.76 0.15 Allowed 'General case' 0 CA--C 1.547 0.839 0 CA-C-N 114.956 -1.02 . . . . 74.32 110.176 -174.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 54.5 t-80 . . . . . 0 CA--C 1.558 1.28 0 C-N-CA 125.512 1.525 . . . . 72.13 111.046 179.1 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 mpt? . . . . . 0 N--CA 1.484 1.262 0 N-CA-C 109.402 -0.592 . . . . 75.42 109.402 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.54 152.03 26.18 Favored 'General case' 0 C--O 1.243 0.736 0 C-N-CA 123.166 0.586 . . . . 60.42 110.63 175.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 172.12 156.91 12.86 Favored Glycine 0 C--N 1.334 0.418 0 CA-C-N 115.755 -0.657 . . . . 64.43 112.28 177.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -115.52 152.61 32.69 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 109.085 -0.709 . . . . 74.52 109.085 177.12 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 4.9 tp10 -157.9 86.27 0.9 Allowed 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.092 0.472 . . . . 63.43 109.88 178.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.1 mp -89.62 100.88 13.59 Favored 'General case' 0 N--CA 1.467 0.425 0 N-CA-C 107.957 -1.127 . . . . 74.14 107.957 177.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 44.4 ttp85 -89.26 126.9 35.69 Favored 'General case' 0 N--CA 1.472 0.651 0 CA-C-O 120.64 0.257 . . . . 55.11 110.308 -178.494 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.728 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.4 t -100.84 116.3 44.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.439 0 N-CA-C 107.975 -1.12 . . . . 73.32 107.975 175.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.8 tt0 -105.98 98.15 7.87 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 108.778 -0.823 . . . . 74.35 108.778 179.692 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.459 HG13 HG11 ' A' ' 40' ' ' VAL . 42.8 mm -91.51 111.83 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 107.658 -1.238 . . . . 61.35 107.658 178.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.59 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 0.7 OUTLIER -96.68 114.36 26.0 Favored 'General case' 0 CA--C 1.539 0.552 0 N-CA-C 107.209 -1.404 . . . . 64.33 107.209 -177.018 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.508 HD13 HG13 ' A' ' 56' ' ' VAL . 48.4 mm -111.59 123.24 67.23 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 N-CA-C 108.277 -1.009 . . . . 52.21 108.277 173.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.549 ' HB3' ' HB3' ' A' ' 55' ' ' ARG . 17.6 t70 -102.59 108.6 19.94 Favored 'General case' 0 C--O 1.239 0.54 0 N-CA-C 107.457 -1.312 . . . . 73.31 107.457 170.3 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.523 ' HB2' ' HG3' ' A' ' 51' ' ' GLN . 10.5 p -82.71 19.61 1.29 Allowed 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 124.177 0.991 . . . . 63.24 112.127 -175.341 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.55 -20.39 41.74 Favored Glycine 0 C--N 1.35 1.352 0 N-CA-C 111.767 -0.533 . . . . 73.24 111.767 -172.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -102.48 100.11 10.2 Favored 'General case' 0 CA--C 1.541 0.608 0 N-CA-C 108.407 -0.96 . . . . 75.44 108.407 178.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -62.74 -29.58 70.78 Favored 'General case' 0 N--CA 1.481 1.098 0 C-N-CA 124.032 0.933 . . . . 71.32 111.568 -179.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -62.53 -56.91 13.55 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.408 0.683 . . . . 61.14 110.707 -178.52 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 97.8 mttt -94.17 77.63 4.02 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 123.988 0.915 . . . . 61.45 109.374 -175.137 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -69.66 117.4 11.21 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-N 114.063 -1.426 . . . . 75.01 109.607 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 39.4 p -95.75 104.3 16.21 Favored 'General case' 0 C--N 1.342 0.261 0 N-CA-C 107.89 -1.152 . . . . 61.4 107.89 178.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 3.8 m -131.72 126.9 35.67 Favored 'General case' 0 N--CA 1.464 0.25 0 N-CA-C 108.805 -0.813 . . . . 55.25 108.805 -169.638 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 39.5 m-85 -105.6 126.99 52.78 Favored 'General case' 0 N--CA 1.471 0.598 0 N-CA-C 108.908 -0.775 . . . . 60.45 108.908 -170.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.6 m-20 -108.08 97.39 7.09 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.169 -1.048 . . . . 64.41 108.169 175.082 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.728 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -115.14 -175.13 2.63 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 107.868 -1.16 . . . . 72.24 107.868 175.284 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 65.0 m-85 -137.38 133.41 34.78 Favored 'General case' 0 C--O 1.241 0.627 0 O-C-N 122.112 -0.368 . . . . 70.11 111.165 -172.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 78.9 m-85 67.39 150.04 0.06 Allowed 'General case' 0 C--O 1.239 0.501 0 C-N-CA 126.438 1.895 . . . . 64.23 112.177 178.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.8 m -133.8 34.97 3.37 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 114.823 -1.081 . . . . 75.33 109.004 176.323 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -128.1 145.78 50.9 Favored 'General case' 0 C--N 1.351 0.656 0 CA-C-N 115.071 -0.968 . . . . 64.3 110.49 -179.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 73.41 168.04 0.31 Allowed 'General case' 0 N--CA 1.482 1.151 0 C-N-CA 125.199 1.4 . . . . 52.02 112.244 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -61.28 -26.94 68.11 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.525 1.13 . . . . 74.31 112.124 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -60.27 -48.87 79.91 Favored 'General case' 0 N--CA 1.47 0.533 0 C-N-CA 124.31 1.044 . . . . 62.33 110.856 176.457 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.66 -28.53 61.81 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.216 -0.447 . . . . 63.11 110.769 177.469 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.493 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 46.2 tttp -64.69 -28.95 69.95 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-O 121.386 0.612 . . . . 73.11 110.276 174.872 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 13.8 tp10 -69.46 -33.1 72.42 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 123.026 0.53 . . . . 71.44 109.983 173.503 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -70.13 -31.85 69.58 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 122.886 0.474 . . . . 75.25 110.756 171.085 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.9 tt -58.75 -44.71 90.64 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.19 0.596 . . . . 62.14 109.865 174.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.8 ttmt -60.67 -44.62 96.25 Favored 'General case' 0 CA--C 1.537 0.457 0 O-C-N 124.07 0.856 . . . . 73.3 110.684 178.028 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 64.0 tttm -63.52 -53.09 57.34 Favored 'General case' 0 CA--C 1.541 0.618 0 C-N-CA 123.791 0.837 . . . . 72.54 111.083 -178.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.459 HG11 HG13 ' A' ' 10' ' ' ILE . 37.5 t -63.1 -46.73 95.31 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 124.612 1.165 . . . . 62.42 111.345 -175.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.4 -35.87 81.41 Favored 'General case' 0 N--CA 1.467 0.396 0 O-C-N 123.906 0.753 . . . . 71.54 111.22 -177.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -65.21 -50.24 66.63 Favored 'General case' 0 C--N 1.351 0.673 0 O-C-N 123.713 0.633 . . . . 72.44 110.263 173.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.459 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -64.85 -33.27 75.6 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 123.512 0.725 . . . . 74.43 111.453 -176.303 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG13 ' A' ' 48' ' ' ILE . . . -68.37 -45.87 71.61 Favored 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 123.445 0.698 . . . . 70.24 109.642 176.152 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.55 -31.14 72.21 Favored 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 115.228 -0.897 . . . . 72.0 111.088 178.047 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.496 ' O ' ' HD3' ' A' ' 50' ' ' LYS . 15.8 m-20 -66.07 -46.22 78.51 Favored 'General case' 0 C--N 1.358 0.973 0 C-N-CA 123.594 0.757 . . . . 73.22 110.323 175.851 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.488 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.5 OUTLIER -58.9 -38.6 79.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 124.099 0.874 . . . . 72.31 110.868 178.754 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.503 HG12 ' HB2' ' A' ' 53' ' ' CYS . 50.3 mt -67.87 -40.12 83.0 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 O-C-N 123.918 0.761 . . . . 74.33 110.727 176.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.2 ttpt -60.86 -39.13 87.99 Favored 'General case' 0 N--CA 1.474 0.751 0 CA-C-N 115.305 -0.861 . . . . 73.32 111.058 -179.664 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HD3' ' O ' ' A' ' 46' ' ' ASP . 4.9 mptp? -71.86 -49.34 39.01 Favored 'General case' 0 CA--C 1.55 0.943 0 CA-C-N 116.042 -0.527 . . . . 70.12 109.997 174.499 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.523 ' HG3' ' HB2' ' A' ' 14' ' ' CYS . 8.6 pt20 -157.72 121.26 4.06 Favored 'General case' 0 CA--C 1.549 0.929 0 C-N-CA 124.375 1.07 . . . . 44.45 109.342 -174.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.403 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.62 104.11 0.23 Allowed Glycine 0 C--N 1.351 1.406 0 C-N-CA 123.432 0.539 . . . . 52.41 113.699 -168.593 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.503 ' HB2' HG12 ' A' ' 48' ' ' ILE . 44.5 m -67.59 93.16 0.35 Allowed 'General case' 0 C--N 1.361 1.073 0 CA-C-O 121.404 0.621 . . . . 62.21 109.819 178.035 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.517 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 58.0 tttp -71.46 -33.41 69.3 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 114.172 -1.376 . . . . 75.25 111.18 -175.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.549 ' HB3' ' HB3' ' A' ' 13' ' ' ASP . 36.5 ttm180 -121.48 123.21 41.49 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 115.873 -0.603 . . . . 74.14 109.949 -176.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.508 HG13 HD13 ' A' ' 12' ' ' ILE . 71.4 t -122.16 136.22 59.71 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 N-CA-C 107.823 -1.177 . . . . 75.12 107.823 170.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.59 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 65.1 mttm -123.65 116.57 23.3 Favored 'General case' 0 C--O 1.215 -0.754 0 N-CA-C 107.271 -1.381 . . . . 72.23 107.271 169.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.472 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 89.9 mt -99.23 110.87 27.39 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.591 0 N-CA-C 106.073 -1.825 . . . . 55.42 106.073 176.732 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.579 ' HG2' ' HG2' ' A' ' 103' ' ' GLU . 65.1 mtt180 -111.42 146.36 37.31 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 108.825 -0.806 . . . . 64.32 108.825 179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -144.03 136.29 26.63 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 107.453 -1.314 . . . . 70.4 107.453 174.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -74.35 101.78 4.18 Favored 'General case' 0 C--O 1.237 0.402 0 N-CA-C 108.768 -0.827 . . . . 55.23 108.768 -178.654 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.559 ' HA ' HD21 ' A' ' 65' ' ' LEU . 0.1 OUTLIER -120.01 94.46 4.4 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 107.841 -1.17 . . . . 70.31 107.841 -174.231 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -167.34 -61.15 0.03 OUTLIER 'General case' 0 C--O 1.239 0.55 0 O-C-N 124.268 0.98 . . . . 60.43 109.035 175.693 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -88.52 69.29 2.76 Favored Glycine 0 C--N 1.342 0.866 0 CA-C-N 115.076 -0.965 . . . . 74.13 112.277 -179.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD21 ' HA ' ' A' ' 62' ' ' LYS . 1.0 OUTLIER -160.21 -166.13 1.62 Allowed 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 124.174 0.99 . . . . 74.01 110.209 -177.742 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.7 t70 -105.73 160.08 15.5 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.329 0.652 . . . . 73.42 109.434 175.544 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -58.19 -33.39 69.22 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.102 0.961 . . . . 74.11 112.141 178.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -56.72 -46.64 81.16 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.882 0.873 . . . . 73.45 109.894 175.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.48 -31.59 72.87 Favored 'General case' 0 CA--C 1.541 0.626 0 O-C-N 124.087 0.867 . . . . 51.13 111.736 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 -64.96 -49.11 71.59 Favored 'General case' 0 C--N 1.357 0.896 0 C-N-CA 122.666 0.386 . . . . 73.44 110.407 175.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.2 tttt -62.06 -46.29 89.77 Favored 'General case' 0 C--O 1.24 0.569 0 O-C-N 124.174 0.921 . . . . 73.35 110.953 -177.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.6 mmtm -62.87 -44.93 94.81 Favored 'General case' 0 N--CA 1.47 0.567 0 CA-C-N 115.37 -0.832 . . . . 70.3 111.154 179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.62 83.37 Favored 'General case' 0 N--CA 1.47 0.54 0 O-C-N 124.211 0.944 . . . . 75.52 112.041 -177.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -64.99 -50.53 65.98 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 114.935 -1.029 . . . . 72.43 110.116 178.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.412 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 57.0 tptt -58.92 -42.36 89.52 Favored 'General case' 0 CA--C 1.548 0.866 0 O-C-N 124.252 0.97 . . . . 70.15 110.259 178.387 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 91.2 t90 -59.84 -55.7 30.88 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.505 1.522 . . . . 72.22 110.944 -179.658 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.471 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -67.47 -31.72 72.07 Favored 'General case' 0 N--CA 1.475 0.797 0 C-N-CA 123.573 0.749 . . . . 65.32 112.237 -172.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.3 mt -66.77 -39.86 87.99 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 123.608 0.568 . . . . 62.43 110.092 175.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.412 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 70.2 mt-10 -66.24 -37.31 85.23 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-O 119.101 -0.476 . . . . 71.13 110.83 176.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.432 HG22 ' HG ' ' A' ' 37' ' ' LEU . 72.8 t -61.7 -45.26 99.04 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.253 0 C-N-CA 123.374 0.67 . . . . 73.33 110.21 176.51 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.48 -51.22 70.77 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 123.876 0.87 . . . . 62.55 111.035 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 56.0 m-80 -71.87 -28.06 63.28 Favored 'General case' 0 N--CA 1.482 1.173 0 C-N-CA 123.214 0.606 . . . . 73.34 111.889 -179.237 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.3 tptt -62.49 -51.95 65.42 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 123.898 0.879 . . . . 65.21 109.765 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 69.8 mt -67.42 -42.73 87.61 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.843 0 C-N-CA 124.405 1.082 . . . . 63.32 110.12 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.99 -30.65 71.76 Favored 'General case' 0 N--CA 1.476 0.861 0 CA-C-N 115.541 -0.754 . . . . 53.23 111.544 179.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 t30 -71.18 -46.27 61.68 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 123.318 0.647 . . . . 71.1 110.764 177.591 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -63.06 -53.82 47.77 Favored 'General case' 0 N--CA 1.473 0.708 0 O-C-N 123.652 0.595 . . . . 75.43 111.459 -174.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.474 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.1 mm? -85.47 -28.68 24.86 Favored 'General case' 0 N--CA 1.482 1.166 0 C-N-CA 122.843 0.457 . . . . 74.21 111.59 -176.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 84.09 46.58 5.85 Favored Glycine 0 N--CA 1.468 0.811 0 N-CA-C 110.82 -0.912 . . . . 72.14 110.82 178.696 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.525 ' HB3' HD22 ' A' ' 108' ' ' LEU . . . -111.19 -171.32 1.81 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.616 0.767 . . . . 72.33 111.418 -169.32 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -81.26 179.47 7.84 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 112.865 0.691 . . . . 75.34 112.865 -169.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 29.5 mm-40 -84.19 -173.06 4.51 Favored 'General case' 0 CA--C 1.548 0.892 0 C-N-CA 124.262 1.025 . . . . 74.15 112.493 -173.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.3 p -125.25 147.05 49.25 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 124.234 1.014 . . . . 65.11 111.441 -175.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.7 t -95.54 144.33 26.1 Favored 'General case' 0 CA--C 1.539 0.53 0 N-CA-C 107.75 -1.204 . . . . 72.54 107.75 167.603 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 69.4 p -126.68 141.25 51.9 Favored 'General case' 0 N--CA 1.476 0.826 0 CA-C-O 121.017 0.437 . . . . 71.44 110.874 -174.65 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 55.3 m -122.15 110.12 15.36 Favored 'General case' 0 C--O 1.241 0.617 0 C-N-CA 124.952 1.301 . . . . 64.01 107.497 165.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.9 t -105.33 135.63 46.34 Favored 'General case' 0 C--O 1.247 0.924 0 C-N-CA 123.036 0.535 . . . . 60.32 109.612 -177.714 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.7 t70 64.87 -160.67 0.28 Allowed 'General case' 0 CA--C 1.562 1.435 0 C-N-CA 124.198 0.999 . . . . 73.52 110.112 176.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 77.86 -81.0 1.3 Allowed Glycine 0 C--N 1.356 1.689 0 N-CA-C 110.613 -0.995 . . . . 64.2 110.613 -176.008 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -152.75 112.93 4.0 Favored 'General case' 0 C--O 1.24 0.576 0 C-N-CA 124.182 0.993 . . . . 70.45 108.65 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 37.8 m 68.05 147.04 0.05 Allowed 'General case' 0 N--CA 1.482 1.158 0 C-N-CA 124.552 1.141 . . . . 72.5 111.513 -179.266 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.471 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 67.2 t80 -97.45 111.24 23.58 Favored 'General case' 0 CA--C 1.541 0.623 0 N-CA-C 108.719 -0.845 . . . . 50.3 108.719 174.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.579 ' HG2' ' HG2' ' A' ' 59' ' ' ARG . 40.4 mt-10 -121.93 116.58 24.61 Favored 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 123.064 0.545 . . . . 71.21 111.287 -178.395 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 97.8 t -108.27 105.29 18.52 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.005 0 N-CA-C 108.562 -0.903 . . . . 75.1 108.562 166.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -94.39 113.09 24.91 Favored 'General case' 0 N--CA 1.47 0.559 0 N-CA-C 109.104 -0.702 . . . . 50.33 109.104 -178.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.403 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 2.8 t -99.86 107.56 21.07 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 N-CA-C 108.686 -0.857 . . . . 73.15 108.686 -175.597 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.6 mm -93.78 99.29 9.34 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 N-CA-C 109.003 -0.739 . . . . 73.05 109.003 -178.429 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.525 HD22 ' HB3' ' A' ' 90' ' ' ALA . 51.4 mt -96.91 99.42 10.97 Favored 'General case' 0 CA--C 1.533 0.322 0 N-CA-C 108.818 -0.808 . . . . 70.2 108.818 -178.454 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -91.91 85.46 5.58 Favored 'General case' 0 N--CA 1.468 0.429 0 N-CA-C 109.272 -0.64 . . . . 71.2 109.272 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -73.43 -59.78 2.55 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-N 115.526 -0.761 . . . . 74.54 109.1 176.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 28.5 mm-40 58.75 7.26 0.73 Allowed 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 125.255 1.422 . . . . 73.23 114.162 173.708 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -79.66 -7.42 58.56 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.915 0.886 . . . . 73.14 109.95 -178.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 9.9 p80 -161.81 65.1 0.25 Allowed 'General case' 0 CA--C 1.544 0.714 0 C-N-CA 124.57 1.148 . . . . 73.1 107.965 175.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -82.26 81.42 8.16 Favored 'General case' 0 N--CA 1.475 0.809 0 CA-C-N 115.506 -0.77 . . . . 74.24 109.144 -179.625 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 4.3 t-160 70.39 117.27 0.04 OUTLIER 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 124.934 1.294 . . . . 74.13 110.705 174.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 -55.26 -39.85 70.29 Favored 'General case' 0 N--CA 1.49 1.538 0 C-N-CA 123.998 0.919 . . . . 61.45 112.557 -173.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 7.3 m-70 . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 108.129 -1.063 . . . . 60.44 108.129 170.396 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 74.7 mtp . . . . . 0 N--CA 1.48 1.034 0 N-CA-C 110.172 -0.307 . . . . 73.31 110.172 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.37 85.38 2.52 Favored 'General case' 0 C--N 1.353 0.739 0 CA-C-N 115.624 -0.716 . . . . 63.44 111.697 -169.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 59.04 89.9 0.02 OUTLIER Glycine 0 C--N 1.353 1.52 0 O-C-N 124.285 0.991 . . . . 72.3 113.834 173.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.524 ' HG3' HD13 ' A' ' 6' ' ' LEU . 44.9 tptt -149.76 158.1 43.84 Favored 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 117.468 0.634 . . . . 62.53 110.728 -178.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 12.2 mp0 -88.74 -4.03 58.62 Favored 'General case' 0 N--CA 1.478 0.934 0 C-N-CA 124.685 1.194 . . . . 70.22 111.116 -174.225 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.595 HD21 ' HB3' ' A' ' 65' ' ' LEU . 6.8 mp -82.13 97.09 8.02 Favored 'General case' 0 N--CA 1.47 0.542 0 N-CA-C 109.165 -0.68 . . . . 52.52 109.165 -175.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.444 ' H ' ' HB2' ' A' ' 61' ' ' GLU . 74.6 mtt-85 -94.4 111.26 23.0 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-N 115.307 -0.861 . . . . 72.5 109.594 -172.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.455 HG22 ' CD1' ' A' ' 60' ' ' PHE . 11.7 t -99.22 121.33 49.71 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.381 0 N-CA-C 108.313 -0.995 . . . . 64.5 108.313 -176.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -114.92 97.59 6.33 Favored 'General case' 0 N--CA 1.474 0.759 0 N-CA-C 108.724 -0.843 . . . . 71.15 108.724 174.315 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.46 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 45.2 mm -92.01 114.61 29.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.43 0 N-CA-C 107.709 -1.219 . . . . 72.02 107.709 175.746 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.528 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 9.9 tmtt? -108.84 122.15 46.58 Favored 'General case' 0 CA--C 1.537 0.466 0 N-CA-C 108.36 -0.978 . . . . 74.22 108.36 -179.225 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 30.5 mm -106.29 137.38 36.92 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 N-CA-C 108.301 -1.0 . . . . 75.35 108.301 174.442 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -99.37 101.48 12.77 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 109.284 -0.636 . . . . 70.43 109.284 175.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.568 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 53.5 t -155.46 -42.48 0.08 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.754 0.822 . . . . 75.4 109.355 -178.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' A' ' 19' ' ' LYS . . . -78.73 67.97 3.09 Favored Glycine 0 C--N 1.349 1.27 0 CA-C-N 115.038 -0.983 . . . . 65.54 111.56 174.651 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.5 p-10 -62.77 -25.45 68.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.18 0.992 . . . . 65.14 111.475 179.447 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -81.09 70.79 8.0 Favored 'General case' 0 CA--C 1.551 0.988 0 C-N-CA 124.533 1.133 . . . . 72.4 109.878 178.294 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t70 63.51 10.11 4.66 Favored 'General case' 0 CA--C 1.568 1.662 0 C-N-CA 125.141 1.376 . . . . 73.12 113.738 170.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.435 ' HE3' HG22 ' A' ' 21' ' ' THR . 63.4 tttp -102.25 99.03 9.1 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 121.013 -1.054 . . . . 72.21 111.052 -173.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -76.49 117.2 17.9 Favored 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 108.113 -1.069 . . . . 74.35 108.113 167.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.521 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 69.6 p -99.99 113.75 26.55 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 108.585 -0.894 . . . . 72.42 108.585 178.195 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 24.3 p -126.58 137.38 53.32 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.553 0.741 . . . . 71.34 109.327 176.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.46 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 69.8 m-85 -120.4 124.39 45.38 Favored 'General case' 0 N--CA 1.47 0.575 0 N-CA-C 108.369 -0.975 . . . . 62.21 108.369 176.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.1 p-10 -104.39 111.45 24.11 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 108.851 -0.796 . . . . 74.34 108.851 178.57 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.796 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 49.6 mt -106.37 -47.5 3.78 Favored 'General case' 0 N--CA 1.475 0.825 0 CA-C-N 115.74 -0.664 . . . . 72.22 111.405 -166.401 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 29.9 m-85 62.58 102.8 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.792 0 O-C-N 124.683 1.239 . . . . 72.41 112.36 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.454 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 78.2 t80 -79.89 141.22 36.32 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 109.105 -0.702 . . . . 71.54 109.105 172.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 29.7 p -150.74 -24.58 0.22 Allowed 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 123.766 0.826 . . . . 73.45 110.343 167.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.404 ' HB2' ' HG3' ' A' ' 32' ' ' GLU . 97.8 mttt -135.89 152.45 51.03 Favored 'General case' 0 N--CA 1.481 1.106 0 C-N-CA 123.721 0.809 . . . . 71.33 109.813 177.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.435 ' HB1' ' HE2' ' A' ' 72' ' ' LYS . . . -65.57 -37.09 85.67 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 124.934 1.294 . . . . 74.31 112.573 -174.354 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -65.66 -39.01 90.92 Favored 'General case' 0 C--O 1.244 0.773 0 C-N-CA 123.818 0.847 . . . . 74.43 110.441 -179.44 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' HG3' ' HB2' ' A' ' 29' ' ' LYS . 79.4 mt-10 -60.5 -44.43 95.99 Favored 'General case' 0 C--N 1.349 0.565 0 CA-C-N 115.207 -0.906 . . . . 53.34 110.016 177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.454 ' HB2' ' CE1' ' A' ' 27' ' ' PHE . . . -53.37 -49.72 66.59 Favored 'General case' 0 C--N 1.358 0.936 0 O-C-N 124.243 0.964 . . . . 65.43 111.468 -174.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.6 ttpp -66.99 -29.47 69.32 Favored 'General case' 0 CA--C 1.555 1.141 0 O-C-N 124.005 0.815 . . . . 75.44 111.884 -178.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 31.0 tt0 -69.39 -49.54 54.41 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 122.799 0.44 . . . . 73.42 110.174 176.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.796 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 2.2 mm? -64.73 -31.07 72.12 Favored 'General case' 0 N--CA 1.483 1.224 0 C-N-CA 123.144 0.578 . . . . 64.33 111.194 175.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 4.6 tt -58.21 -53.44 58.24 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.065 0.946 . . . . 71.22 111.169 179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.8 ptmm? -74.95 -29.02 60.81 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 123.922 0.764 . . . . 63.34 111.584 -175.286 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 98.4 mttt -69.22 -49.25 58.18 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.175 0.59 . . . . 75.31 111.345 176.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.566 HG21 HD11 ' A' ' 25' ' ' LEU . 49.2 t -66.63 -35.89 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 C-N-CA 122.776 0.43 . . . . 55.43 110.39 178.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.402 ' HB1' ' HD2' ' A' ' 83' ' ' LYS . . . -62.07 -44.46 96.63 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 115.964 -0.562 . . . . 71.12 112.042 178.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.2 pt-20 -74.85 -45.08 45.46 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 123.146 0.279 . . . . 74.32 111.453 -179.128 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -71.46 -31.38 67.1 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 122.872 0.469 . . . . 74.43 111.726 -173.682 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -69.46 -47.83 62.7 Favored 'General case' 0 N--CA 1.478 0.944 0 N-CA-C 109.577 -0.527 . . . . 45.25 109.577 172.622 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -59.04 -29.52 67.36 Favored 'General case' 0 C--N 1.356 0.858 0 O-C-N 124.065 0.853 . . . . 53.33 111.552 178.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.442 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 3.8 m-20 -65.22 -40.51 94.22 Favored 'General case' 0 N--CA 1.479 1.008 0 C-N-CA 123.862 0.865 . . . . 65.02 111.466 175.253 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 72.4 mmtt -66.93 -36.48 82.33 Favored 'General case' 0 N--CA 1.488 1.453 0 CA-C-O 121.906 0.86 . . . . 61.34 110.586 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.605 HG21 HD13 ' A' ' 88' ' ' LEU . 24.2 mt -73.67 -32.64 35.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.211 1.404 . . . . 72.05 110.633 178.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.6 ttmt -64.17 -34.68 78.63 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 124.438 1.095 . . . . 64.42 110.113 173.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 26.2 mtpp -73.82 -52.09 14.2 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 123.551 0.74 . . . . 61.3 110.886 179.305 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 15.3 mm100 -123.48 -69.11 0.83 Allowed 'General case' 0 N--CA 1.48 1.058 0 C-N-CA 123.497 0.719 . . . . 72.03 110.039 -173.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.02 80.09 0.18 Allowed Glycine 0 C--N 1.345 1.031 0 N-CA-C 110.636 -0.986 . . . . 41.13 110.636 -173.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.568 ' SG ' ' HB2' ' A' ' 14' ' ' CYS . 33.7 m -66.4 99.77 0.59 Allowed 'General case' 0 C--N 1.354 0.77 0 C-N-CA 123.147 0.579 . . . . 64.33 109.983 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.441 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.5 OUTLIER -68.36 -17.52 64.26 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.122 0.969 . . . . 73.15 112.113 178.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 47.0 ttt180 -148.53 120.7 8.33 Favored 'General case' 0 CA--C 1.535 0.386 0 N-CA-C 109.378 -0.601 . . . . 54.32 109.378 -176.756 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 74.6 t -110.4 145.95 16.21 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.563 0 N-CA-C 106.795 -1.557 . . . . 72.12 106.795 170.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.528 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 27.3 mtpp -122.68 114.27 20.35 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 108.853 -0.795 . . . . 71.54 108.853 178.507 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.3 mt -102.73 111.59 33.05 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.831 0 N-CA-C 106.772 -1.566 . . . . 64.11 106.772 174.043 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 42.3 ttt85 -112.23 146.38 38.25 Favored 'General case' 0 N--CA 1.474 0.773 0 N-CA-C 108.027 -1.101 . . . . 74.44 108.027 176.021 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.455 ' CD1' HG22 ' A' ' 8' ' ' VAL . 79.7 t80 -157.55 138.77 13.56 Favored 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 122.536 0.335 . . . . 74.03 110.403 -174.44 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.444 ' HB2' ' H ' ' A' ' 7' ' ' ARG . 2.7 mm-40 -73.04 105.13 4.37 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 124.01 0.924 . . . . 65.01 109.71 173.038 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -83.26 38.65 0.61 Allowed 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 123.811 0.844 . . . . 73.1 109.522 -177.621 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.0 ttmp? -140.96 148.38 40.26 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 124.049 0.94 . . . . 72.21 109.843 -166.22 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 79.89 17.71 74.27 Favored Glycine 0 C--N 1.346 1.112 0 O-C-N 123.721 0.638 . . . . 63.44 113.098 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.595 ' HB3' HD21 ' A' ' 6' ' ' LEU . 0.3 OUTLIER -120.23 148.18 44.0 Favored 'General case' 0 N--CA 1.472 0.665 0 C-N-CA 123.72 0.808 . . . . 74.41 111.5 -176.06 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -68.34 167.81 13.78 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 124.533 1.133 . . . . 70.34 109.796 173.849 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -55.93 -41.79 75.16 Favored 'General case' 0 N--CA 1.486 1.369 0 C-N-CA 123.721 0.808 . . . . 71.14 111.647 176.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -65.46 -47.49 75.95 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.475 0.71 . . . . 72.34 110.368 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.25 -29.97 70.32 Favored 'General case' 0 N--CA 1.477 0.924 0 O-C-N 124.144 0.902 . . . . 61.02 112.154 -179.378 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.42 ' HB2' HD13 ' A' ' 65' ' ' LEU . 36.3 ttt180 -70.65 -44.96 66.04 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.362 1.065 . . . . 73.42 109.78 179.827 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 36.8 ttpt -69.92 -34.08 73.01 Favored 'General case' 0 CA--C 1.533 0.299 0 CA-C-N 113.827 -1.533 . . . . 72.52 110.606 177.56 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.435 ' HE2' ' HB1' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -70.47 -42.83 70.91 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.448 -0.797 . . . . 72.43 110.089 -179.252 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.29 -31.31 63.97 Favored 'General case' 0 N--CA 1.468 0.469 0 O-C-N 124.013 0.821 . . . . 73.4 111.463 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.485 ' O ' ' HG ' ' A' ' 78' ' ' LEU . 84.2 tttt -64.35 -55.78 18.83 Favored 'General case' 0 C--N 1.35 0.609 0 O-C-N 123.863 0.727 . . . . 74.35 109.537 174.114 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.426 ' O ' ' HG3' ' A' ' 79' ' ' GLU . 55.0 tptt -62.29 -40.65 96.97 Favored 'General case' 0 C--N 1.349 0.548 0 O-C-N 124.646 1.216 . . . . 75.4 110.638 -176.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.4 t90 -58.28 -48.65 79.79 Favored 'General case' 0 N--CA 1.47 0.536 0 O-C-N 124.265 0.978 . . . . 72.54 111.065 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.89 -31.22 72.33 Favored 'General case' 0 N--CA 1.477 0.915 0 O-C-N 123.889 0.743 . . . . 73.32 111.51 -178.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 74' ' ' LYS . 58.6 mt -70.55 -45.73 64.92 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 115.84 -0.618 . . . . 73.14 110.013 173.32 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.426 ' HG3' ' O ' ' A' ' 75' ' ' LYS . 49.0 mt-10 -64.79 -47.07 79.44 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 123.714 0.806 . . . . 61.43 111.434 -174.266 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 26.9 m -65.65 -34.95 73.83 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.282 0 O-C-N 123.623 0.577 . . . . 64.21 111.365 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.1 -51.15 71.25 Favored 'General case' 0 N--CA 1.473 0.715 0 CA-C-O 121.566 0.698 . . . . 51.2 110.836 174.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 47.9 m-80 -76.29 -23.29 54.36 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.429 -1.26 . . . . 73.14 112.241 -179.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.425 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 6.0 tmtt? -70.5 -47.56 59.9 Favored 'General case' 0 N--CA 1.486 1.34 0 N-CA-C 108.715 -0.846 . . . . 60.23 108.715 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 61.5 mt -61.46 -44.6 98.83 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.854 0 N-CA-C 108.794 -0.817 . . . . 70.31 108.794 174.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.41 -29.56 70.01 Favored 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 123.454 0.702 . . . . 72.44 112.22 174.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -70.58 -40.38 73.33 Favored 'General case' 0 N--CA 1.485 1.294 0 C-N-CA 123.29 0.636 . . . . 63.51 110.112 179.407 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 10.5 mm-40 -65.61 -26.48 67.85 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-N 115.72 -0.673 . . . . 73.22 111.539 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.7 ' HB3' HD21 ' A' ' 110' ' ' LEU . 27.7 mt -118.98 -15.99 9.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 113.115 0.783 . . . . 54.23 113.115 -165.271 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.95 -76.53 1.4 Allowed Glycine 0 CA--C 1.527 0.834 0 N-CA-C 110.324 -1.111 . . . . 63.21 110.324 -165.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.409 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . 64.54 -94.11 0.04 OUTLIER 'General case' 0 N--CA 1.472 0.669 0 C-N-CA 125.005 1.322 . . . . 74.22 112.61 167.146 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 2.7 tmmm? -173.24 -88.51 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.966 0 C-N-CA 123.323 0.649 . . . . 74.15 109.327 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 -168.93 -170.9 1.23 Allowed 'General case' 0 N--CA 1.5 2.031 0 C-N-CA 123.723 0.809 . . . . 74.44 110.727 -173.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.61 ' HB3' HG13 ' A' ' 106' ' ' VAL . 32.5 p -132.59 146.56 51.99 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 124.162 0.985 . . . . 54.1 110.444 176.479 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 15.3 t -95.82 138.68 33.12 Favored 'General case' 0 N--CA 1.475 0.82 0 N-CA-C 107.73 -1.211 . . . . 72.54 107.73 167.025 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.47 HG22 HG13 ' A' ' 104' ' ' VAL . 51.6 p -120.67 110.25 16.17 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 122.515 0.326 . . . . 62.43 110.203 -175.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -82.49 109.5 16.77 Favored 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 108.418 -0.956 . . . . 73.04 108.418 172.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.2 t -96.83 127.8 43.16 Favored 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.761 -0.654 . . . . 74.22 109.849 -179.28 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -159.11 150.34 20.19 Favored 'General case' 0 N--CA 1.474 0.735 0 C-N-CA 124.045 0.938 . . . . 70.33 109.333 179.101 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -73.74 -30.36 61.89 Favored Glycine 0 C--N 1.346 1.104 0 O-C-N 123.575 0.547 . . . . 71.12 113.977 -174.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -78.85 -51.12 10.16 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 123.242 0.617 . . . . 64.35 110.444 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 27.9 p -139.27 142.0 37.78 Favored 'General case' 0 N--CA 1.485 1.319 0 C-N-CA 123.72 0.808 . . . . 72.24 110.319 178.81 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 20.8 t80 -112.83 115.51 28.59 Favored 'General case' 0 N--CA 1.475 0.819 0 N-CA-C 108.369 -0.974 . . . . 72.33 108.369 178.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.411 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 34.9 tt0 -115.43 124.47 51.24 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 122.546 0.338 . . . . 75.11 110.449 177.553 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG13 HG22 ' A' ' 95' ' ' THR . 95.2 t -111.44 107.77 23.79 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.484 0 C-N-CA 124.23 1.012 . . . . 72.54 108.48 172.698 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -95.49 118.65 32.59 Favored 'General case' 0 N--CA 1.469 0.503 0 N-CA-C 108.486 -0.931 . . . . 54.31 108.486 176.404 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.61 HG13 ' HB3' ' A' ' 93' ' ' SER . 2.7 t -99.26 106.55 19.12 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 N-CA-C 109.317 -0.623 . . . . 64.12 109.317 -173.344 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 2.7 mp -88.91 97.53 7.04 Favored 'Isoleucine or valine' 0 C--O 1.248 1.022 0 N-CA-C 107.629 -1.248 . . . . 74.4 107.629 -178.627 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.441 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 33.3 mt -96.01 98.84 10.69 Favored 'General case' 0 C--O 1.233 0.22 0 CA-C-N 114.539 -1.21 . . . . 54.13 108.697 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -90.25 88.54 7.27 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 115.874 -0.603 . . . . 73.32 109.739 -176.381 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.7 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.3 mp -110.31 106.16 15.44 Favored 'General case' 0 C--O 1.242 0.681 0 N-CA-C 107.602 -1.258 . . . . 64.32 107.602 169.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 39.8 mt-10 -70.78 80.8 0.62 Allowed 'General case' 0 N--CA 1.467 0.392 0 N-CA-C 106.999 -1.482 . . . . 62.43 106.999 164.513 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 54.0 t60 -60.57 97.57 0.05 Allowed 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.951 -1.022 . . . . 75.14 108.605 -175.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 73.9 t60 -23.47 -68.12 0.03 OUTLIER 'General case' 0 N--CA 1.499 1.987 0 C-N-CA 126.461 1.904 . . . . 71.44 114.025 -162.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 19.2 t-80 -94.88 94.78 8.24 Favored 'General case' 0 CA--C 1.542 0.638 0 N-CA-C 108.805 -0.813 . . . . 71.33 108.805 171.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.7 p-80 -123.68 133.78 53.84 Favored 'General case' 0 N--CA 1.476 0.859 0 N-CA-C 107.432 -1.321 . . . . 62.15 107.432 173.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 88.6 m-70 -69.61 -36.21 75.99 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 122.793 0.437 . . . . 74.51 110.454 -176.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.1 p-80 . . . . . 0 C--O 1.259 1.569 0 C-N-CA 124.182 0.993 . . . . 74.52 109.1 176.008 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.486 ' SD ' ' HB3' ' A' ' 32' ' ' GLU . 26.4 mmt . . . . . 0 N--CA 1.479 1.021 0 N-CA-C 109.938 -0.393 . . . . 74.5 109.938 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.67 99.45 1.72 Allowed 'General case' 0 C--O 1.239 0.523 0 C-N-CA 125.081 1.352 . . . . 61.54 107.725 -178.808 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -71.65 175.53 40.66 Favored Glycine 0 C--N 1.345 1.078 0 CA-C-O 120.031 -0.316 . . . . 55.31 112.49 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 82.5 tttt 58.32 83.27 0.12 Allowed 'General case' 0 N--CA 1.481 1.087 0 C-N-CA 124.124 0.97 . . . . 72.33 110.893 -178.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -167.87 -75.31 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.58 0 CA-C-N 116.232 -0.44 . . . . 54.24 109.984 174.237 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 70.5 mt -104.79 103.79 13.46 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.164 -0.68 . . . . 63.55 109.164 -173.818 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.82 120.88 23.34 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 108.899 -0.778 . . . . 74.31 108.899 -175.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.572 ' HB ' ' HD1' ' A' ' 60' ' ' PHE . 3.4 p -130.52 126.47 60.84 Favored 'Isoleucine or valine' 0 C--O 1.238 0.47 0 C-N-CA 123.96 0.904 . . . . 70.44 110.179 -178.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 34.5 mt-10 -107.22 101.07 10.48 Favored 'General case' 0 C--N 1.326 -0.436 0 C-N-CA 123.924 0.89 . . . . 74.33 109.096 173.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.703 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 47.0 mm -89.69 112.65 24.81 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 106.096 -1.816 . . . . 74.34 106.096 173.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.62 ' HE2' ' HB2' ' A' ' 20' ' ' GLU . 5.6 tmtp? -118.82 131.75 56.1 Favored 'General case' 0 C--N 1.314 -0.942 0 CA-C-N 115.618 -0.719 . . . . 71.4 109.271 -164.403 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG21 ' HG2' ' A' ' 47' ' ' LYS . 46.0 mm -98.19 112.16 29.61 Favored 'Isoleucine or valine' 0 C--O 1.241 0.623 0 N-CA-C 106.859 -1.534 . . . . 73.14 106.859 168.462 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -93.91 101.54 13.61 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 108.997 -0.742 . . . . 75.44 108.997 -177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' SG ' ' HB2' ' A' ' 16' ' ' ASN . 43.0 t -169.15 -51.74 0.02 OUTLIER 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 124.242 1.017 . . . . 64.41 108.682 -178.722 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 66.51 31.59 79.17 Favored Glycine 0 C--N 1.353 1.509 0 CA-C-N 115.07 -0.968 . . . . 71.44 112.812 -177.168 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.424 ' HB2' ' SG ' ' A' ' 14' ' ' CYS . 28.4 t-20 -62.49 145.96 52.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 123.548 0.739 . . . . 64.1 109.981 179.002 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 5.3 t70 72.94 -69.5 0.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 O-C-N 124.903 1.377 . . . . 71.33 108.336 -166.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.2 t70 173.55 174.38 0.14 Allowed 'General case' 0 N--CA 1.484 1.271 0 C-N-CA 126.652 1.981 . . . . 52.21 106.654 173.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 86.7 tttt 70.32 143.64 0.05 Allowed 'General case' 0 N--CA 1.485 1.295 0 C-N-CA 124.675 1.19 . . . . 72.22 112.641 170.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.62 ' HB2' ' HE2' ' A' ' 11' ' ' LYS . 13.2 pt-20 -78.24 149.49 33.61 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.216 -0.902 . . . . 72.23 110.281 175.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.405 HG21 ' HE2' ' A' ' 47' ' ' LYS . 27.8 m -122.32 108.59 13.42 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 123.235 0.614 . . . . 73.03 110.045 -176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.421 ' OG1' ' HE3' ' A' ' 11' ' ' LYS . 2.8 m -125.5 143.42 51.01 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 123.47 0.708 . . . . 71.53 109.671 -178.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.703 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 97.8 m-85 -119.01 126.92 52.84 Favored 'General case' 0 C--O 1.241 0.629 0 C-N-CA 123.474 0.71 . . . . 64.12 109.581 178.335 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' HB3' ' HE1' ' A' ' 26' ' ' TYR . 16.0 m-20 -100.3 98.55 9.2 Favored 'General case' 0 C--N 1.329 -0.289 0 N-CA-C 106.999 -1.482 . . . . 73.33 106.999 178.378 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.647 ' HB3' ' HG ' ' A' ' 36' ' ' LEU . 40.5 mt -83.98 -47.15 11.29 Favored 'General case' 0 N--CA 1.477 0.891 0 CA-C-O 121.175 0.512 . . . . 73.41 109.896 -177.401 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.442 ' HE1' ' HB3' ' A' ' 24' ' ' ASP . 34.5 m-85 58.53 91.8 0.04 OUTLIER 'General case' 0 C--O 1.238 0.488 0 C-N-CA 125.358 1.463 . . . . 65.05 111.566 -173.052 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.56 118.33 8.67 Favored 'General case' 0 C--O 1.238 0.456 0 CA-C-N 114.465 -1.243 . . . . 73.44 110.69 -176.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.7 m -94.53 52.59 1.56 Allowed 'General case' 0 CA--C 1.543 0.702 0 N-CA-C 106.856 -1.535 . . . . 72.52 106.856 163.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 50.7 mtpt 62.81 -176.23 0.14 Allowed 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 125.25 1.42 . . . . 73.52 112.508 -174.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' HB3' ' A' ' 72' ' ' LYS . . . -62.16 -36.45 81.89 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 114.121 1.156 . . . . 44.25 114.121 -168.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.9 tp10 -59.06 -44.52 91.84 Favored 'General case' 0 N--CA 1.473 0.71 0 O-C-N 123.978 0.799 . . . . 60.33 111.286 -175.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.486 ' HB3' ' SD ' ' A' ' 1' ' ' MET . 15.2 mm-40 -81.46 -36.85 28.86 Favored 'General case' 0 CA--C 1.542 0.66 0 CA-C-N 115.868 -0.605 . . . . 71.42 111.508 174.737 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.461 ' HA ' HD23 ' A' ' 36' ' ' LEU . . . -61.72 -31.6 71.77 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 123.738 0.815 . . . . 65.42 112.41 -174.046 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -60.02 -28.26 67.58 Favored 'General case' 0 N--CA 1.485 1.289 0 C-N-CA 123.817 0.847 . . . . 74.21 111.762 -179.252 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -75.35 -39.66 59.05 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.74 0.816 . . . . 64.22 110.501 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.647 ' HG ' ' HB3' ' A' ' 25' ' ' LEU . 3.4 mm? -63.73 -32.01 73.37 Favored 'General case' 0 N--CA 1.479 0.987 0 CA-C-N 115.946 -0.57 . . . . 65.04 110.859 175.008 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.531 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.2 tt -57.19 -45.39 83.8 Favored 'General case' 0 N--CA 1.487 1.399 0 C-N-CA 124.528 1.131 . . . . 52.33 110.966 175.249 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 33.8 ttmt -61.15 -45.13 95.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 114.359 -1.291 . . . . 75.43 110.741 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -65.14 -45.21 85.91 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 115.092 -0.958 . . . . 60.12 111.375 179.007 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 36' ' ' LEU . 70.3 t -61.62 -34.7 63.14 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.413 0 C-N-CA 123.381 0.672 . . . . 65.25 110.923 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -58.87 -44.98 91.21 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 123.125 0.57 . . . . 65.14 111.594 175.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.25 -38.55 60.47 Favored 'General case' 0 CA--C 1.544 0.717 0 CA-C-N 115.143 -0.935 . . . . 53.44 111.534 -179.28 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.402 ' O ' ' HD3' ' A' ' 47' ' ' LYS . 8.5 mmpt? -74.62 -31.07 61.88 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.146 0.578 . . . . 71.01 111.744 -173.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.412 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.92 -42.11 61.09 Favored 'General case' 0 N--CA 1.474 0.771 0 N-CA-C 109.51 -0.552 . . . . 71.24 109.51 174.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.22 -37.84 78.49 Favored 'General case' 0 N--CA 1.476 0.826 0 C-N-CA 124.343 1.057 . . . . 61.32 112.536 -178.206 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -54.39 -49.36 70.07 Favored 'General case' 0 N--CA 1.485 1.305 0 O-C-N 123.841 0.713 . . . . 65.25 111.442 179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.524 ' HG2' HG21 ' A' ' 12' ' ' ILE . 12.7 mptt -69.47 -34.68 74.72 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 115.095 -0.957 . . . . 54.14 110.133 -173.33 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.412 HG12 ' O ' ' A' ' 44' ' ' ALA . 30.5 mm -70.29 -34.85 60.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 123.919 0.762 . . . . 51.02 110.571 179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -66.92 -39.71 87.43 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.388 0.675 . . . . 75.14 111.064 -178.048 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -85.54 -20.88 28.95 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 115.873 -0.603 . . . . 73.21 111.211 177.759 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 27.0 tp60 -169.17 107.98 0.43 Allowed 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.707 0.803 . . . . 71.24 110.172 -174.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -57.77 93.19 0.04 OUTLIER Glycine 0 C--N 1.35 1.307 0 CA-C-O 119.967 -0.352 . . . . 14.03 112.858 178.412 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 58.1 m -88.88 132.83 34.5 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 124.147 0.979 . . . . 73.01 109.538 179.688 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.521 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 0.7 OUTLIER -97.53 -3.62 39.43 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.687 0.795 . . . . 75.33 112.477 -172.566 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 41.0 ttt180 -138.26 115.07 10.71 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-O 121.421 0.629 . . . . 75.54 109.7 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 97.7 t -111.49 137.4 44.24 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.382 0 N-CA-C 106.09 -1.818 . . . . 62.03 106.09 166.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.3 mtpp -114.75 118.05 32.5 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 109.379 -0.6 . . . . 65.0 109.379 -179.66 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' O ' ' HA ' ' A' ' 103' ' ' GLU . 87.6 mt -99.72 112.28 31.69 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.541 0 N-CA-C 106.259 -1.756 . . . . 75.4 106.259 170.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 57.1 mtp180 -116.2 138.44 51.28 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 108.064 -1.088 . . . . 73.13 108.064 -178.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.572 ' HD1' ' HB ' ' A' ' 8' ' ' VAL . 74.8 t80 -154.34 139.31 17.28 Favored 'General case' 0 CA--C 1.537 0.454 0 N-CA-C 108.096 -1.076 . . . . 71.22 108.096 -177.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -74.01 125.55 28.53 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.675 0.39 . . . . 64.54 110.283 -178.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -132.36 107.16 8.35 Favored 'General case' 0 C--O 1.219 -0.537 0 N-CA-C 107.627 -1.249 . . . . 73.34 107.627 -178.465 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 24.2 ttmm -164.21 -74.15 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.57 0.748 . . . . 65.32 109.365 175.525 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -94.27 32.0 6.28 Favored Glycine 0 C--N 1.346 1.093 0 CA-C-N 115.67 -0.696 . . . . 64.44 113.001 -178.425 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 69.7 mt -73.16 155.1 39.98 Favored 'General case' 0 C--N 1.351 0.673 0 C-N-CA 123.188 0.595 . . . . 65.03 109.845 174.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -74.79 147.9 40.82 Favored 'General case' 0 CA--C 1.546 0.8 0 N-CA-C 107.737 -1.209 . . . . 74.3 107.737 164.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -58.62 -36.07 73.47 Favored 'General case' 0 N--CA 1.497 1.88 0 C-N-CA 123.092 0.557 . . . . 71.32 112.082 -173.679 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.469 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 28.2 t70 -66.27 -55.29 16.84 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-N 115.577 -0.738 . . . . 71.22 109.47 175.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -59.1 -31.74 69.19 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.529 0.732 . . . . 52.25 112.657 -178.306 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 5.6 tmm_? -65.35 -51.3 61.43 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.86 1.264 . . . . 74.15 109.469 176.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 83.3 tttt -66.18 -34.22 77.54 Favored 'General case' 0 C--O 1.217 -0.611 0 CA-C-N 115.001 -0.999 . . . . 74.15 110.937 -178.536 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.704 ' HB3' ' HB2' ' A' ' 30' ' ' ALA . 74.8 mmtt -72.16 -37.02 69.46 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 123.213 0.605 . . . . 73.43 111.128 -178.166 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.34 -38.0 65.9 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 123.77 0.828 . . . . 74.54 111.062 178.666 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.9 tttt -69.27 -47.53 64.36 Favored 'General case' 0 N--CA 1.477 0.877 0 O-C-N 123.827 0.704 . . . . 71.4 110.69 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 27.2 tptp -56.6 -44.84 81.49 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 124.755 1.222 . . . . 73.45 108.977 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.531 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 89.2 t90 -57.62 -54.01 51.73 Favored 'General case' 0 C--O 1.218 -0.574 0 CA-C-N 113.952 -1.476 . . . . 65.14 110.375 173.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -62.83 -30.98 71.9 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 123.946 0.899 . . . . 64.13 112.949 -171.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 77.1 mt -77.93 -46.3 21.61 Favored 'General case' 0 CA--C 1.548 0.89 0 C-N-CA 123.13 0.572 . . . . 73.43 110.598 177.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -67.74 -38.45 83.53 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 123.616 0.767 . . . . 73.12 111.822 -177.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.451 HG23 ' HG ' ' A' ' 37' ' ' LEU . 8.4 p -73.2 -36.83 50.89 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.781 0 O-C-N 123.617 0.573 . . . . 74.31 109.466 -179.432 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.66 -43.6 98.39 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 123.056 0.542 . . . . 61.03 110.69 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.7 m120 -75.77 -24.6 56.05 Favored 'General case' 0 N--CA 1.47 0.563 0 CA-C-N 115.153 -0.931 . . . . 44.34 111.412 176.015 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.481 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 26.4 tptp -65.77 -51.62 57.6 Favored 'General case' 0 N--CA 1.475 0.802 0 N-CA-C 109.227 -0.657 . . . . 62.13 109.227 175.65 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 2.0 mp -60.07 -42.44 89.87 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.27 0 C-N-CA 123.495 0.718 . . . . 60.32 110.044 176.251 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.79 -31.44 69.69 Favored 'General case' 0 N--CA 1.481 1.104 0 C-N-CA 123.542 0.737 . . . . 71.24 111.586 176.691 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -75.99 -44.37 39.94 Favored 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.478 0.711 . . . . 72.35 110.79 175.476 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.481 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 14.8 mm-40 -59.27 -45.12 92.08 Favored 'General case' 0 N--CA 1.488 1.469 0 C-N-CA 123.409 0.684 . . . . 75.35 111.306 -172.692 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.658 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -90.83 -10.7 41.79 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.48 -0.782 . . . . 64.31 111.871 -178.199 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 45.56 86.74 Favored Glycine 0 C--N 1.35 1.361 0 N-CA-C 111.73 -0.548 . . . . 63.12 111.73 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -114.26 -169.11 1.46 Allowed 'General case' 0 C--O 1.24 0.562 0 C-N-CA 124.163 0.985 . . . . 41.44 110.519 -177.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -81.59 171.35 14.75 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 123.519 0.728 . . . . 63.14 111.96 -174.129 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.3 mm-40 -72.24 175.81 5.77 Favored 'General case' 0 C--O 1.24 0.601 0 CA-C-N 114.539 -1.209 . . . . 72.33 112.225 -178.737 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 p -110.43 144.88 38.56 Favored 'General case' 0 C--O 1.238 0.451 0 CA-C-N 114.264 -1.335 . . . . 64.42 111.173 -173.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.9 t -93.84 127.9 39.82 Favored 'General case' 0 CA--C 1.546 0.79 0 N-CA-C 108.471 -0.937 . . . . 71.55 108.471 173.646 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.3 t -108.29 145.15 34.82 Favored 'General case' 0 N--CA 1.476 0.853 0 C-N-CA 122.945 0.498 . . . . 65.21 110.304 -179.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 94.5 m -131.77 114.41 14.7 Favored 'General case' 0 C--O 1.243 0.711 0 C-N-CA 124.204 1.002 . . . . 72.14 108.758 -179.363 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.9 t -93.3 117.06 29.62 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 108.479 -0.934 . . . . 64.32 108.479 177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.428 ' HB3' ' O ' ' A' ' 101' ' ' THR . 23.3 t70 -139.69 147.55 41.12 Favored 'General case' 0 C--O 1.241 0.621 0 CA-C-N 115.665 -0.698 . . . . 55.13 109.685 -170.57 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -82.99 10.02 58.91 Favored Glycine 0 C--N 1.346 1.123 0 O-C-N 124.074 0.859 . . . . 60.12 114.669 -175.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -128.58 -50.25 1.27 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 123.438 0.695 . . . . 63.45 109.608 174.052 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.428 ' O ' ' HB3' ' A' ' 98' ' ' ASP . 48.9 m -138.03 109.15 6.8 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.424 0.69 . . . . 74.31 110.649 -176.746 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 74.3 t80 -75.72 112.84 12.51 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.181 -1.044 . . . . 63.34 108.181 171.496 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.406 ' HA ' ' O ' ' A' ' 58' ' ' ILE . 41.5 tt0 -123.47 122.06 37.27 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.811 0.444 . . . . 64.14 110.682 -175.215 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 52.5 t -113.08 109.02 27.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 N-CA-C 108.363 -0.977 . . . . 52.23 108.363 172.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -95.16 124.37 39.16 Favored 'General case' 0 N--CA 1.47 0.529 0 N-CA-C 109.235 -0.654 . . . . 74.34 109.235 178.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 5.1 t -96.11 108.32 21.02 Favored 'Isoleucine or valine' 0 C--O 1.238 0.497 0 N-CA-C 108.133 -1.062 . . . . 72.41 108.133 -175.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.8 mm -87.93 98.15 7.33 Favored 'Isoleucine or valine' 0 C--O 1.241 0.653 0 N-CA-C 108.891 -0.781 . . . . 45.13 108.891 -176.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.521 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 79.0 mt -98.99 95.74 7.35 Favored 'General case' 0 CA--C 1.533 0.307 0 CA-C-N 115.689 -0.687 . . . . 73.12 109.754 -178.618 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -99.02 83.99 2.99 Favored 'General case' 0 N--CA 1.465 0.287 0 N-CA-C 109.236 -0.653 . . . . 53.35 109.236 -179.009 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.658 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.9 mp -94.16 104.48 16.5 Favored 'General case' 0 C--O 1.241 0.608 0 N-CA-C 107.712 -1.218 . . . . 75.3 107.712 172.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.472 ' HB2' ' HD2' ' A' ' 113' ' ' HIS . 0.0 OUTLIER -78.26 72.68 4.81 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 122.739 1.257 . . . . 73.12 108.292 169.158 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -82.98 66.89 8.83 Favored 'General case' 0 CA--C 1.545 0.756 0 CA-C-N 114.051 -1.431 . . . . 70.21 108.141 -178.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . 0.472 ' HD2' ' HB2' ' A' ' 111' ' ' GLU . 26.2 p80 -104.03 104.75 14.75 Favored 'General case' 0 N--CA 1.475 0.789 0 CA-C-N 115.305 -0.861 . . . . 73.52 110.314 -174.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 74.0 t60 -168.34 -44.89 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 114.744 -1.116 . . . . 71.52 109.577 177.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 34.7 t-80 -83.18 -5.89 59.28 Favored 'General case' 0 CA--C 1.557 1.212 0 CA-C-N 115.185 -0.916 . . . . 74.01 111.044 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -77.34 124.38 27.78 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 108.589 -0.893 . . . . 70.24 108.589 172.872 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 . . . . . 0 CA--C 1.565 1.521 0 O-C-N 124.616 1.197 . . . . 75.23 110.677 -179.642 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.4 ptt? . . . . . 0 N--CA 1.482 1.158 0 N-CA-C 111.81 0.3 . . . . 74.32 111.81 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.82 99.4 5.3 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 123.251 0.62 . . . . 54.43 110.296 -178.569 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -94.06 113.27 4.49 Favored Glycine 0 C--N 1.344 1.011 0 N-CA-C 111.443 -0.663 . . . . 55.23 111.443 175.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.401 ' HD3' ' HA3' ' A' ' 64' ' ' GLY . 80.9 tttt -66.4 155.82 36.35 Favored 'General case' 0 N--CA 1.476 0.827 0 C-N-CA 123.307 0.643 . . . . 73.24 111.098 -174.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -69.83 94.73 0.85 Allowed 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.835 0.854 . . . . 75.2 111.2 -177.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.588 HD21 HD23 ' A' ' 65' ' ' LEU . 6.0 mp -73.59 99.4 3.05 Favored 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 108.453 -0.943 . . . . 72.32 108.453 172.024 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.9 mtp180 -86.33 107.01 17.79 Favored 'General case' 0 C--N 1.343 0.292 0 N-CA-C 108.56 -0.904 . . . . 73.04 108.56 -178.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 17.6 m -112.5 143.6 21.9 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 124.458 1.103 . . . . 63.55 109.531 -173.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.493 ' O ' ' HB2' ' A' ' 59' ' ' ARG . 8.8 pt-20 -106.5 94.86 5.37 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.525 0.678 . . . . 61.21 109.671 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.55 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 50.4 mm -93.26 112.46 26.42 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.008 -1.108 . . . . 61.11 108.008 -178.352 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 28.9 mmtp -96.11 131.06 42.94 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.719 0.808 . . . . 73.42 110.424 -178.17 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' A' ' 47' ' ' LYS . 50.8 mm -109.82 116.58 52.59 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.649 0 N-CA-C 108.23 -1.026 . . . . 73.44 108.23 170.32 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.433 ' HB3' ' O ' ' A' ' 55' ' ' ARG . 35.1 t70 -89.74 144.15 26.21 Favored 'General case' 0 N--CA 1.474 0.742 0 N-CA-C 108.592 -0.892 . . . . 73.41 108.592 176.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 49.0 t -154.87 -51.47 0.09 Allowed 'General case' 0 N--CA 1.484 1.244 0 CA-C-N 118.259 0.482 . . . . 70.24 112.218 -178.151 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -158.61 177.05 35.41 Favored Glycine 0 C--N 1.348 1.222 0 C-N-CA 121.758 -0.258 . . . . 72.04 113.318 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -80.86 -26.87 36.64 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.971 0.908 . . . . 74.13 111.86 -175.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 37.2 t70 -76.88 -8.85 58.11 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.501 0.721 . . . . 71.23 111.027 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 23.8 m-20 -77.21 166.61 22.99 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 123.38 0.672 . . . . 74.11 111.863 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -118.23 -169.38 1.69 Allowed 'General case' 0 N--CA 1.474 0.767 0 C-N-CA 124.375 1.07 . . . . 75.13 109.194 175.57 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.29 119.22 7.52 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.151 0.58 . . . . 74.43 110.538 172.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 25.1 m -121.36 103.57 9.06 Favored 'General case' 0 CA--C 1.536 0.438 0 N-CA-C 108.065 -1.087 . . . . 53.04 108.065 176.562 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 10.3 p -121.64 137.61 54.67 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.875 0.87 . . . . 72.44 109.971 -179.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.55 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 10.0 m-85 -110.81 125.05 53.17 Favored 'General case' 0 C--O 1.234 0.28 0 N-CA-C 107.113 -1.439 . . . . 72.23 107.113 172.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 p-10 -111.54 97.5 6.78 Favored 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 122.248 1.023 . . . . 62.24 108.692 176.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.405 HD21 HG13 ' A' ' 10' ' ' ILE . 0.4 OUTLIER -116.28 125.47 52.23 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 114.363 -1.29 . . . . 72.43 108.011 -179.09 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 15.6 m-85 -77.48 140.77 39.86 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 115.501 -0.772 . . . . 64.12 109.776 -175.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.523 ' H ' ' HB2' ' A' ' 6' ' ' LEU . 92.1 m-85 -118.12 158.46 25.02 Favored 'General case' 0 C--O 1.24 0.582 0 N-CA-C 109.054 -0.721 . . . . 53.41 109.054 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 11.7 t -148.89 -69.95 0.21 Allowed 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 107.755 -1.202 . . . . 61.34 107.755 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.517 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 11.2 mmpt? -124.42 179.43 4.93 Favored 'General case' 0 N--CA 1.477 0.903 0 C-N-CA 123.308 0.643 . . . . 64.44 110.519 -179.164 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.31 -45.75 86.57 Favored 'General case' 0 N--CA 1.474 0.766 0 C-N-CA 125.009 1.324 . . . . 72.34 113.146 -170.591 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -68.31 -37.6 80.77 Favored 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 123.207 0.603 . . . . 74.32 111.107 -173.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -64.42 -46.98 80.85 Favored 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 115.531 -0.759 . . . . 74.13 109.775 173.068 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -57.36 -48.0 80.17 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 123.878 0.736 . . . . 71.45 111.359 -179.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.425 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 48.1 mtmt -65.87 -29.64 70.11 Favored 'General case' 0 N--CA 1.483 1.195 0 C-N-CA 123.658 0.783 . . . . 73.14 111.691 -178.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -69.93 -43.64 71.23 Favored 'General case' 0 CA--C 1.55 0.947 0 N-CA-C 109.857 -0.423 . . . . 71.34 109.857 175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -65.38 -31.72 72.98 Favored 'General case' 0 N--CA 1.48 1.049 0 C-N-CA 123.349 0.66 . . . . 72.03 111.387 174.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.456 HD21 ' HG3' ' A' ' 83' ' ' LYS . 5.6 tt -57.64 -47.61 81.75 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 124.671 1.188 . . . . 74.0 110.531 176.311 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.9 ttmt -55.84 -40.48 72.89 Favored 'General case' 0 CA--C 1.545 0.76 0 O-C-N 124.778 1.299 . . . . 63.0 111.201 179.452 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -73.7 -49.72 24.39 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 114.831 -1.077 . . . . 71.44 111.448 -177.339 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 96.3 t -66.17 -32.73 59.39 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 C-N-CA 122.788 0.435 . . . . 71.31 110.659 -178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.42 ' HA ' HG12 ' A' ' 84' ' ' ILE . . . -61.26 -49.56 76.59 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 123.568 0.747 . . . . 65.45 111.28 178.61 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.1 pt-20 -73.89 -36.7 64.8 Favored 'General case' 0 C--N 1.355 0.805 0 O-C-N 123.515 0.51 . . . . 63.44 111.404 -178.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.411 ' HA ' ' HE3' ' A' ' 43' ' ' LYS . 0.0 OUTLIER -70.4 -38.83 74.73 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 123.138 0.575 . . . . 72.12 111.975 -174.012 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -74.03 -31.54 62.95 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 122.853 0.461 . . . . 62.04 110.248 173.626 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -64.67 -33.39 75.84 Favored 'General case' 0 N--CA 1.473 0.717 0 C-N-CA 123.585 0.754 . . . . 54.33 111.526 176.111 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.429 ' HA ' ' HE2' ' A' ' 49' ' ' LYS . 12.6 m-20 -61.18 -39.26 89.51 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.696 0.799 . . . . 74.35 110.793 177.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.668 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 73.6 mmtt -71.86 -36.38 70.12 Favored 'General case' 0 CA--C 1.55 0.945 0 CA-C-N 115.616 -0.72 . . . . 65.11 110.688 -177.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.573 HG12 ' H ' ' A' ' 53' ' ' CYS . 32.5 mt -70.96 -33.95 53.81 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.195 0 CA-C-O 121.243 0.544 . . . . 70.21 110.353 175.227 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.429 ' HE2' ' HA ' ' A' ' 46' ' ' ASP . 37.1 ttpt -64.35 -29.9 70.96 Favored 'General case' 0 CA--C 1.546 0.822 0 CA-C-N 115.035 -0.984 . . . . 72.3 110.94 -179.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 52.4 mttp -70.09 -49.9 46.33 Favored 'General case' 0 N--CA 1.479 1.002 0 O-C-N 123.469 0.481 . . . . 73.12 111.182 171.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.487 ' NE2' ' HA ' ' A' ' 114' ' ' HIS . 52.7 tt0 -155.7 -58.97 0.1 Allowed 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 122.895 0.478 . . . . 74.22 110.1 -174.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.12 123.71 0.81 Allowed Glycine 0 C--N 1.342 0.901 0 N-CA-C 111.253 -0.739 . . . . 64.52 111.253 -174.211 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 71.5 m -64.32 -31.79 73.13 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 117.155 0.477 . . . . 74.13 110.839 174.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.466 ' HE3' ' HB2' ' A' ' 54' ' ' LYS . 24.9 mtmt 73.99 -59.61 0.55 Allowed 'General case' 0 N--CA 1.488 1.457 0 C-N-CA 126.008 1.723 . . . . 72.31 109.454 -176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.433 ' O ' ' HB3' ' A' ' 13' ' ' ASP . 83.1 mtm180 -128.23 130.17 47.54 Favored 'General case' 0 CA--C 1.539 0.546 0 C-N-CA 124.729 1.212 . . . . 73.11 108.191 176.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 95.8 t -112.2 120.77 63.24 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.496 0 N-CA-C 107.12 -1.437 . . . . 64.42 107.12 170.028 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.608 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 29.6 mmmt -101.6 114.54 28.67 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 122.562 0.345 . . . . 74.51 110.349 -176.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.727 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 44.1 mm -101.99 110.88 29.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.402 0 N-CA-C 106.488 -1.671 . . . . 62.21 106.488 172.243 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' A' ' 9' ' ' GLU . 53.5 mtp85 -121.08 130.93 53.98 Favored 'General case' 0 C--O 1.241 0.626 0 N-CA-C 107.346 -1.353 . . . . 71.04 107.346 179.686 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 41.9 t80 -135.12 135.67 41.33 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.16 0.584 . . . . 75.11 109.79 -165.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 41.9 tt0 -109.99 138.89 45.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.919 1.287 . . . . 74.22 109.445 176.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 8.8 ptmt -124.69 130.3 52.15 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.418 -0.586 . . . . 61.31 109.418 168.192 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -140.78 -30.67 0.63 Allowed 'General case' 0 N--CA 1.478 0.964 0 C-N-CA 124.374 1.07 . . . . 62.32 109.803 174.284 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.401 ' HA3' ' HD3' ' A' ' 4' ' ' LYS . . . -138.85 59.47 0.6 Allowed Glycine 0 C--N 1.35 1.33 0 CA-C-N 116.711 -0.222 . . . . 71.14 113.14 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.634 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.9 OUTLIER -126.64 -176.68 3.75 Favored 'General case' 0 N--CA 1.479 1.009 0 C-N-CA 123.394 0.678 . . . . 74.42 110.003 171.131 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 15.5 p-10 -117.11 -179.15 3.62 Favored 'General case' 0 N--CA 1.482 1.134 0 C-N-CA 123.923 0.889 . . . . 60.42 109.341 173.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -61.31 -34.18 74.81 Favored 'General case' 0 N--CA 1.485 1.304 0 C-N-CA 123.24 0.616 . . . . 64.4 111.805 -178.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.484 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 22.9 t70 -64.76 -54.97 22.92 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 122.704 0.402 . . . . 71.55 109.926 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.634 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -59.76 -34.98 73.69 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 123.565 0.541 . . . . 55.14 111.899 -178.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -64.31 -45.41 88.05 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.565 1.146 . . . . 61.53 109.792 177.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 49.5 tptt -66.15 -43.53 86.73 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.437 1.095 . . . . 73.51 110.942 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.484 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 29.5 mmmt -74.08 -29.99 62.14 Favored 'General case' 0 C--N 1.348 0.536 0 C-N-CA 123.455 0.702 . . . . 61.43 110.82 -175.706 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.31 -38.56 65.8 Favored 'General case' 0 N--CA 1.481 1.085 0 C-N-CA 123.88 0.872 . . . . 54.31 111.285 177.277 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -59.98 -47.73 84.62 Favored 'General case' 0 N--CA 1.478 0.941 0 CA-C-N 115.554 -0.748 . . . . 65.24 109.51 172.538 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -70.3 -30.57 67.6 Favored 'General case' 0 CA--C 1.544 0.724 0 CA-C-N 114.416 -1.265 . . . . 75.11 110.786 -179.252 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -60.69 -55.8 28.84 Favored 'General case' 0 N--CA 1.474 0.746 0 C-N-CA 124.454 1.102 . . . . 73.14 110.281 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.56 ' HB1' HG21 ' A' ' 104' ' ' VAL . . . -60.99 -30.77 70.47 Favored 'General case' 0 CA--C 1.54 0.59 0 O-C-N 124.459 1.1 . . . . 74.43 112.179 -175.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 94.5 mt -65.36 -51.13 62.6 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 123.293 0.637 . . . . 71.23 110.219 173.627 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.3 mm-40 -67.16 -39.46 86.48 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 115.657 -0.702 . . . . 64.34 111.715 -174.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.405 ' O ' HG13 ' A' ' 84' ' ' ILE . 76.0 t -61.17 -48.1 90.54 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.09 0 C-N-CA 123.889 0.876 . . . . 73.42 110.125 176.631 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.87 -46.43 81.85 Favored 'General case' 0 CA--C 1.538 0.499 0 O-C-N 124.22 0.95 . . . . 54.3 111.661 178.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 36.8 m-80 -72.39 -27.02 62.11 Favored 'General case' 0 N--CA 1.472 0.643 0 CA-C-N 115.117 -0.947 . . . . 74.12 111.69 177.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 1.4 mmpt? -69.94 -51.35 33.53 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 122.936 0.495 . . . . 73.34 110.789 179.647 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.42 HG12 ' HA ' ' A' ' 41' ' ' ALA . 13.8 mt -62.46 -35.91 72.23 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.224 0 CA-C-O 121.486 0.66 . . . . 72.15 109.219 178.458 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.5 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -68.85 -31.95 71.28 Favored 'General case' 0 CA--C 1.546 0.807 0 CA-C-N 115.088 -0.96 . . . . 64.41 111.994 174.598 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -75.44 -40.18 57.93 Favored 'General case' 0 N--CA 1.488 1.464 0 C-N-CA 123.425 0.69 . . . . 72.01 111.042 -177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.503 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 11.7 mm-40 -69.75 -40.53 76.1 Favored 'General case' 0 N--CA 1.478 0.948 0 O-C-N 123.473 0.483 . . . . 74.21 110.85 -175.565 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.444 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -98.29 -15.8 19.64 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 123.183 0.593 . . . . 62.24 112.258 -176.027 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 75.05 82.44 0.44 Allowed Glycine 0 C--N 1.347 1.143 0 N-CA-C 111.493 -0.643 . . . . 63.4 111.493 -175.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.5 ' HB3' ' HA ' ' A' ' 85' ' ' ALA . . . -146.11 -176.8 5.3 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 122.926 0.49 . . . . 70.22 112.276 -167.493 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 58.6 mtpt -79.36 -173.28 3.61 Favored 'General case' 0 N--CA 1.478 0.928 0 C-N-CA 124.51 1.124 . . . . 71.14 112.805 -174.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -97.44 179.31 4.91 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 124.05 0.94 . . . . 62.03 111.62 -178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.9 p -117.34 155.08 30.18 Favored 'General case' 0 N--CA 1.467 0.409 0 C-N-CA 124.321 1.048 . . . . 72.54 110.547 -179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 13.0 t -107.59 144.4 34.67 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 108.512 -0.921 . . . . 72.01 108.512 167.549 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.448 HG22 HG13 ' A' ' 104' ' ' VAL . 78.0 p -132.54 117.18 17.65 Favored 'General case' 0 N--CA 1.478 0.946 0 C-N-CA 123.106 0.563 . . . . 74.5 109.882 -176.405 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.626 ' HB ' ' HB3' ' A' ' 103' ' ' GLU . 18.6 m -90.44 109.92 21.04 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 108.265 -1.013 . . . . 71.44 108.265 171.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 5.0 t -103.27 105.72 16.06 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.752 0.787 . . . . 55.34 109.657 -179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -95.98 -6.23 39.39 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 115.041 -0.981 . . . . 74.51 110.768 177.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 84.7 -72.16 2.84 Favored Glycine 0 C--N 1.348 1.232 0 N-CA-C 111.026 -0.83 . . . . 55.2 111.026 -175.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -61.27 -46.71 89.21 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 124.587 1.155 . . . . 65.31 111.36 177.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.6 m -116.6 143.41 45.65 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 108.575 -0.898 . . . . 63.34 108.575 175.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.594 ' HB3' ' HB3' ' A' ' 60' ' ' PHE . 12.2 t80 -125.82 116.24 21.27 Favored 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 120.978 0.418 . . . . 63.21 110.042 -178.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.626 ' HB3' ' HB ' ' A' ' 96' ' ' THR . 9.9 tp10 -110.55 133.36 53.37 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.576 1.15 . . . . 74.3 109.646 -178.508 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.727 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.8 t -136.7 139.9 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.921 0 C-N-CA 123.953 0.901 . . . . 73.41 109.153 175.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.401 ' HB2' ' NZ ' ' A' ' 57' ' ' LYS . 29.6 tt0 -132.43 119.45 20.66 Favored 'General case' 0 C--O 1.235 0.325 0 N-CA-C 108.828 -0.804 . . . . 74.33 108.828 171.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.525 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -105.81 106.03 19.8 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.368 0 N-CA-C 108.029 -1.1 . . . . 73.41 108.029 -176.35 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.1 mm -88.92 97.6 7.12 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.606 0 N-CA-C 108.799 -0.815 . . . . 72.25 108.799 -177.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -115.29 97.43 6.18 Favored 'General case' 0 C--O 1.237 0.444 0 N-CA-C 107.987 -1.116 . . . . 72.21 107.987 177.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.8 pt-20 -99.56 86.36 3.33 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 121.905 0.86 . . . . 75.33 109.851 -174.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.452 HD11 ' HB2' ' A' ' 90' ' ' ALA . 4.2 mp -121.28 35.79 4.79 Favored 'General case' 0 N--CA 1.471 0.62 0 CA-C-N 114.948 -1.024 . . . . 52.43 109.411 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -57.97 100.69 0.06 Allowed 'General case' 0 CA--C 1.551 0.997 0 N-CA-C 107.904 -1.147 . . . . 72.34 107.904 176.523 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -81.94 -70.68 0.53 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 115.71 -0.677 . . . . 75.45 110.098 -174.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 80.0 m-70 -134.52 117.93 16.74 Favored 'General case' 0 C--O 1.236 0.368 0 N-CA-C 108.417 -0.957 . . . . 71.55 108.417 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . 0.487 ' HA ' ' NE2' ' A' ' 51' ' ' GLN . 33.7 p80 -64.71 -18.6 65.15 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 123.899 0.88 . . . . 71.25 110.996 174.525 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 33.1 t-80 66.42 -94.01 0.03 OUTLIER 'General case' 0 C--N 1.354 0.792 0 C-N-CA 125.367 1.467 . . . . 64.11 109.968 176.032 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 77.6 m-70 -155.44 145.78 21.88 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.339 -0.986 . . . . 73.05 108.339 178.497 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 81.7 t60 . . . . . 0 C--O 1.245 0.868 0 N-CA-C 108.779 -0.823 . . . . 71.52 108.779 -179.436 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.3 mmt . . . . . 0 N--CA 1.478 0.971 0 N-CA-C 108.469 -0.937 . . . . 75.24 108.469 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.93 158.79 21.52 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.201 1.0 . . . . 63.44 109.841 178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 94.75 5.37 61.36 Favored Glycine 0 N--CA 1.473 1.12 0 CA-C-N 116.339 -0.391 . . . . 53.21 112.655 -177.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -96.07 -2.29 46.99 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 123.82 0.848 . . . . 71.54 110.766 178.527 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -81.41 134.8 35.6 Favored 'General case' 0 C--O 1.241 0.658 0 N-CA-C 108.58 -0.896 . . . . 75.21 108.58 -178.076 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -68.62 100.64 1.15 Allowed 'General case' 0 C--O 1.241 0.625 0 N-CA-C 108.688 -0.856 . . . . 70.2 108.688 -178.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.511 ' HG3' ' HB2' ' A' ' 61' ' ' GLU . 1.6 ptp180 -82.8 132.18 35.17 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 115.365 -0.834 . . . . 74.25 111.957 -171.724 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.624 HG21 ' HG ' ' A' ' 25' ' ' LEU . 11.2 m -101.13 137.8 27.48 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 N-CA-C 108.58 -0.896 . . . . 74.11 108.58 172.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.3 mp0 -111.65 91.22 3.58 Favored 'General case' 0 C--O 1.238 0.473 0 N-CA-C 106.91 -1.515 . . . . 54.32 106.91 168.12 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.468 ' O ' ' HA ' ' A' ' 22' ' ' THR . 47.0 mm -93.19 109.71 22.15 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.657 0 N-CA-C 106.917 -1.512 . . . . 63.32 106.917 -179.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.46 ' HE3' ' HB2' ' A' ' 20' ' ' GLU . 3.1 tmtm? -106.4 119.5 39.43 Favored 'General case' 0 C--N 1.326 -0.439 0 N-CA-C 108.392 -0.966 . . . . 72.04 108.392 -167.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.481 HG21 ' HG3' ' A' ' 47' ' ' LYS . 42.8 mm -96.2 124.86 49.1 Favored 'Isoleucine or valine' 0 C--O 1.243 0.749 0 N-CA-C 107.654 -1.239 . . . . 62.42 107.654 166.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -88.39 106.19 18.09 Favored 'General case' 0 CA--C 1.539 0.55 0 N-CA-C 107.977 -1.12 . . . . 64.52 107.977 179.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 23.9 p -162.73 163.39 26.86 Favored 'General case' 0 N--CA 1.481 1.103 0 C-N-CA 123.632 0.773 . . . . 62.34 110.635 -173.17 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -169.23 51.34 0.21 Allowed Glycine 0 C--N 1.345 1.028 0 N-CA-C 111.147 -0.781 . . . . 54.33 111.147 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 9.8 p-10 -128.55 84.83 2.27 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 124.291 1.036 . . . . 72.02 109.651 -170.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 22.4 t70 71.02 -62.1 0.46 Allowed 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 124.866 1.266 . . . . 71.42 109.576 -166.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.0 t70 -80.75 136.02 36.08 Favored 'General case' 0 C--O 1.241 0.628 0 CA-C-N 115.107 -0.951 . . . . 65.31 109.502 174.354 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -75.27 167.19 22.38 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.416 1.087 . . . . 73.01 110.531 179.537 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.46 ' HB2' ' HE3' ' A' ' 11' ' ' LYS . 8.6 pt-20 -57.42 118.81 5.54 Favored 'General case' 0 CA--C 1.55 0.955 0 C-N-CA 123.819 0.848 . . . . 71.31 109.19 168.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 1.1 p -117.07 122.59 44.58 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.413 0.685 . . . . 64.42 112.132 -164.197 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.468 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 22.2 p -96.61 135.54 38.38 Favored 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 123.811 0.844 . . . . 72.34 109.533 170.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.462 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 5.8 m-85 -106.67 133.46 51.31 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.535 0.734 . . . . 63.42 110.857 -171.815 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -99.89 101.23 12.29 Favored 'General case' 0 N--CA 1.477 0.916 0 C-N-CA 124.018 0.927 . . . . 73.43 109.651 176.463 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.624 ' HG ' HG21 ' A' ' 8' ' ' VAL . 0.3 OUTLIER -127.02 -35.37 2.26 Favored 'General case' 0 N--CA 1.481 1.119 0 C-N-CA 124.135 0.974 . . . . 75.52 109.462 175.085 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.513 ' H ' HG22 ' A' ' 8' ' ' VAL . 2.2 m-85 66.46 -176.28 0.19 Allowed 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 125.122 1.369 . . . . 73.44 112.909 173.123 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.485 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 63.1 t80 -150.4 154.72 38.26 Favored 'General case' 0 C--O 1.24 0.582 0 CA-C-N 114.396 -1.274 . . . . 74.43 108.21 -175.211 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.6 t -157.37 -31.26 0.08 Allowed 'General case' 0 N--CA 1.47 0.565 0 C-N-CA 124.168 0.987 . . . . 70.51 109.212 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 23.4 ttpp -166.61 160.12 14.81 Favored 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 124.456 1.102 . . . . 73.55 108.45 -174.632 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.58 -23.82 67.39 Favored 'General case' 0 N--CA 1.488 1.466 0 N-CA-C 114.506 1.298 . . . . 51.53 114.506 -169.174 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -73.27 -49.57 26.97 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 123.28 0.632 . . . . 74.11 111.193 -174.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -62.73 -43.17 99.49 Favored 'General case' 0 N--CA 1.479 1.013 0 CA-C-N 115.825 -0.625 . . . . 73.53 109.324 173.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.485 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -54.36 -46.66 73.05 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 123.812 0.695 . . . . 74.14 111.505 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.401 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 3.3 tmmm? -68.96 -35.74 77.09 Favored 'General case' 0 CA--C 1.555 1.142 0 C-N-CA 123.489 0.715 . . . . 73.13 110.607 -175.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.0 tt0 -63.81 -51.11 66.23 Favored 'General case' 0 N--CA 1.486 1.34 0 CA-C-O 121.383 0.611 . . . . 64.01 110.306 175.747 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.516 ' HG ' ' HB2' ' A' ' 25' ' ' LEU . 2.8 mm? -66.65 -29.2 69.16 Favored 'General case' 0 CA--C 1.541 0.631 0 CA-C-N 114.58 -1.191 . . . . 62.1 111.633 -178.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.401 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 4.4 tt -52.92 -46.36 68.04 Favored 'General case' 0 N--CA 1.483 1.216 0 C-N-CA 124.726 1.21 . . . . 72.14 110.941 174.222 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.462 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 6.9 tmtm? -60.29 -44.79 95.06 Favored 'General case' 0 N--CA 1.477 0.92 0 O-C-N 124.221 0.95 . . . . 51.53 109.333 178.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -69.3 -37.11 77.64 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-N 115.512 -0.767 . . . . 54.31 111.594 -174.83 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.2 t -70.98 -33.46 51.91 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.339 0 C-N-CA 123.049 0.54 . . . . 65.31 110.132 176.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -65.25 -30.98 71.9 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 122.871 0.468 . . . . 61.23 110.972 174.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.462 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 40.4 mm-40 -70.95 -52.26 20.92 Favored 'General case' 0 N--CA 1.475 0.802 0 C-N-CA 122.873 0.469 . . . . 75.31 110.324 172.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -73.3 -32.96 64.92 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.097 0.959 . . . . 65.03 112.828 -167.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.52 -42.84 61.23 Favored 'General case' 0 N--CA 1.472 0.646 0 N-CA-C 109.403 -0.592 . . . . 71.35 109.403 175.316 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -63.88 -33.6 76.05 Favored 'General case' 0 CA--C 1.545 0.781 0 O-C-N 124.262 0.976 . . . . 30.22 110.934 178.285 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -55.33 -48.49 74.1 Favored 'General case' 0 N--CA 1.489 1.491 0 C-N-CA 123.81 0.844 . . . . 71.42 110.06 175.795 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' HG3' HG21 ' A' ' 12' ' ' ILE . 34.6 mmtp -69.87 -29.34 66.54 Favored 'General case' 0 CA--C 1.544 0.742 0 CA-C-N 114.781 -1.099 . . . . 74.42 112.141 -174.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.431 HG12 ' O ' ' A' ' 44' ' ' ALA . 19.3 mm -74.05 -35.89 42.89 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.155 0 CA-C-O 121.026 0.441 . . . . 65.42 110.034 173.573 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.18 -26.58 60.37 Favored 'General case' 0 N--CA 1.488 1.429 0 C-N-CA 123.543 0.737 . . . . 71.11 109.752 175.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 51.9 tptt -62.81 -37.95 88.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.511 1.124 . . . . 71.44 110.724 -179.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 46.0 tt0 -160.82 -55.47 0.05 Allowed 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 114.742 -1.117 . . . . 71.34 108.726 176.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 132.97 72.78 0.09 OUTLIER Glycine 0 C--N 1.336 0.578 0 N-CA-C 109.887 -1.285 . . . . 73.15 109.887 -172.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.456 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 77.7 m -59.29 -43.67 92.55 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.256 0.622 . . . . 73.44 110.524 177.395 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 9.3 mtmp? 66.67 -4.73 0.71 Allowed 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 125.365 1.466 . . . . 73.41 113.566 175.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 40.8 ttt180 -139.17 114.25 9.49 Favored 'General case' 0 C--O 1.238 0.476 0 N-CA-C 107.889 -1.152 . . . . 72.03 107.889 179.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 92.5 t -115.25 129.62 71.19 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 105.85 -1.907 . . . . 75.25 105.85 171.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.9 mtmt -114.91 114.37 25.39 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.045 -1.094 . . . . 62.22 108.045 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 88.0 mt -97.83 115.84 38.85 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.631 0 N-CA-C 107.061 -1.459 . . . . 73.2 107.061 179.569 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 15.3 ttt180 -121.11 151.1 40.25 Favored 'General case' 0 N--CA 1.47 0.546 0 N-CA-C 107.065 -1.457 . . . . 54.21 107.065 176.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.472 ' HD1' HG12 ' A' ' 8' ' ' VAL . 52.5 t80 -158.31 137.37 11.49 Favored 'General case' 0 C--O 1.235 0.335 0 N-CA-C 108.778 -0.823 . . . . 73.41 108.778 -174.323 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.511 ' HB2' ' HG3' ' A' ' 7' ' ' ARG . 0.5 OUTLIER -61.12 123.79 18.67 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 124.287 0.992 . . . . 64.0 110.257 -177.152 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -138.61 93.78 2.76 Favored 'General case' 0 C--O 1.24 0.591 0 N-CA-C 107.457 -1.312 . . . . 61.51 107.457 -178.845 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 38.0 ttmt -175.89 -54.79 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.801 0 O-C-N 124.262 0.976 . . . . 73.41 108.976 175.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.62 51.57 4.15 Favored Glycine 0 C--N 1.343 0.96 0 CA-C-N 114.834 -1.076 . . . . 63.02 112.531 178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD13 ' HB2' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -148.73 160.88 42.77 Favored 'General case' 0 C--O 1.243 0.712 0 C-N-CA 123.752 0.821 . . . . 73.22 111.089 179.303 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -81.82 163.5 22.3 Favored 'General case' 0 C--O 1.243 0.718 0 CA-C-N 114.937 -1.029 . . . . 71.42 109.105 175.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -61.16 -23.64 65.7 Favored 'General case' 0 N--CA 1.485 1.306 0 C-N-CA 123.584 0.754 . . . . 75.33 111.194 175.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.413 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 19.2 t70 -64.62 -55.59 19.3 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 123.747 0.819 . . . . 75.35 110.803 173.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -64.0 -40.4 96.28 Favored 'General case' 0 N--CA 1.477 0.894 0 O-C-N 123.774 0.671 . . . . 74.32 110.961 -177.586 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.497 ' HB2' HD13 ' A' ' 65' ' ' LEU . 59.8 ttp180 -62.02 -35.69 79.32 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 123.942 0.897 . . . . 70.52 110.931 176.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.5 ttmp? -71.72 -44.46 64.11 Favored 'General case' 0 N--CA 1.477 0.895 0 O-C-N 123.665 0.603 . . . . 73.44 110.893 -177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.46 ' HB2' ' HZ ' ' A' ' 27' ' ' PHE . 27.9 mmtp -68.91 -34.18 74.97 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 109.98 -0.378 . . . . 75.12 109.98 -179.596 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -76.22 -37.98 57.01 Favored 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 124.412 1.085 . . . . 60.34 112.816 -177.655 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.8 ptmt -67.9 -42.28 81.42 Favored 'General case' 0 N--CA 1.488 1.44 0 N-CA-C 109.969 -0.382 . . . . 65.21 109.969 179.428 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 29.8 mtpp -63.87 -45.05 91.2 Favored 'General case' 0 C--N 1.355 0.838 0 C-N-CA 123.688 0.795 . . . . 74.4 109.531 176.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.415 ' O ' HG23 ' A' ' 80' ' ' VAL . 41.8 t90 -59.1 -48.43 81.64 Favored 'General case' 0 C--O 1.217 -0.619 0 O-C-N 124.335 1.022 . . . . 75.45 111.18 178.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.45 -31.98 73.29 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 123.465 0.706 . . . . 73.34 111.68 -176.602 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.1 mt -75.95 -37.65 58.41 Favored 'General case' 0 CA--C 1.547 0.834 0 C-N-CA 123.849 0.859 . . . . 63.43 110.588 175.575 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 46.6 mm-40 -70.07 -37.45 75.47 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.18 0.592 . . . . 65.44 111.62 -179.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 76' ' ' TRP . 92.8 t -66.41 -44.62 90.57 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.941 0 C-N-CA 124.113 0.965 . . . . 72.11 109.078 173.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.437 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -58.43 -43.92 88.91 Favored 'General case' 0 CA--C 1.544 0.745 0 CA-C-N 114.852 -1.067 . . . . 71.21 111.996 178.422 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.04 -29.82 58.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 123.903 0.881 . . . . 65.31 110.96 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 25.7 tptp -69.0 -43.86 73.96 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.167 0.587 . . . . 75.52 109.856 -179.423 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.417 ' CG2' HD11 ' A' ' 108' ' ' LEU . 57.1 mt -70.42 -36.31 66.0 Favored 'Isoleucine or valine' 0 CA--C 1.558 1.287 0 C-N-CA 125.0 1.32 . . . . 61.11 110.427 177.277 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -62.94 -43.73 98.0 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.057 0.543 . . . . 72.31 110.857 175.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 -66.65 -40.51 88.7 Favored 'General case' 0 N--CA 1.476 0.832 0 CA-C-N 114.903 -1.044 . . . . 71.25 110.266 177.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.547 ' HB3' HD22 ' A' ' 88' ' ' LEU . 4.3 tp10 -58.52 -47.61 83.57 Favored 'General case' 0 N--CA 1.471 0.609 0 C-N-CA 125.158 1.383 . . . . 71.51 111.079 -171.405 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.547 HD22 ' HB3' ' A' ' 87' ' ' GLU . 3.2 mm? -92.79 -7.34 46.75 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 115.375 -0.829 . . . . 70.33 112.017 -179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 67.6 28.89 73.56 Favored Glycine 0 C--N 1.347 1.179 0 O-C-N 123.42 0.45 . . . . 35.42 112.833 -177.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -103.35 -171.68 1.98 Allowed 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 124.486 1.115 . . . . 45.32 110.718 -177.252 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.6 ttmt -74.34 157.19 36.18 Favored 'General case' 0 CA--C 1.548 0.898 0 CA-C-O 121.178 0.513 . . . . 61.13 111.428 -176.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -69.52 -176.75 1.05 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.244 1.418 . . . . 74.12 111.458 177.616 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.437 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 12.1 m -110.14 152.52 25.93 Favored 'General case' 0 C--O 1.238 0.46 0 CA-C-N 115.336 -0.847 . . . . 70.23 111.692 -169.665 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.0 t -97.34 139.6 33.05 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 108.696 -0.853 . . . . 55.42 108.696 170.265 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 5.6 t -115.98 147.43 41.19 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 123.294 0.637 . . . . 72.12 110.728 -177.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 33.6 m -125.91 110.32 13.5 Favored 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 125.084 1.354 . . . . 70.43 107.774 -178.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.8 t -99.96 120.71 40.22 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.549 0.74 . . . . 64.52 109.107 -175.662 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 33.8 t70 68.13 177.18 0.25 Allowed 'General case' 0 CA--C 1.568 1.661 0 C-N-CA 124.357 1.063 . . . . 65.34 110.992 -178.693 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 93.8 52.83 1.89 Allowed Glycine 0 C--N 1.35 1.349 0 N-CA-C 110.884 -0.886 . . . . 64.21 110.884 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 30.6 t70 62.29 97.76 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.894 0 C-N-CA 124.963 1.305 . . . . 71.45 110.665 -174.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 9.2 m 72.16 151.91 0.11 Allowed 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.606 1.163 . . . . 70.14 111.252 176.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 53.4 t80 -90.29 137.86 32.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.652 -0.655 . . . . 75.52 109.522 178.192 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -145.13 118.36 8.94 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 111.8 0.296 . . . . 64.25 111.8 -174.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 68.2 t -112.23 110.22 31.39 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 124.551 1.14 . . . . 71.14 108.071 172.344 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 43.1 tt0 -94.88 123.52 38.4 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.135 0.493 . . . . 61.25 110.028 -178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.595 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 21.6 t -95.92 108.63 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 125.199 1.399 . . . . 62.43 109.072 -178.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 48.4 mm -100.85 97.44 5.73 Favored 'Isoleucine or valine' 0 C--O 1.241 0.643 0 N-CA-C 108.884 -0.784 . . . . 72.5 108.884 177.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.417 HD11 ' CG2' ' A' ' 84' ' ' ILE . 93.1 mt -86.57 103.88 15.48 Favored 'General case' 0 N--CA 1.465 0.319 0 CA-C-N 114.964 -1.016 . . . . 73.02 110.058 177.606 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -95.47 108.53 20.76 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 109.115 -0.698 . . . . 73.42 109.115 177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 4.8 mp -112.63 35.06 4.0 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 123.933 0.893 . . . . 63.33 110.398 178.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -50.59 -38.21 44.27 Favored 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 124.49 1.116 . . . . 71.33 110.933 170.666 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 88.7 m-70 -95.92 144.04 26.59 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 114.59 -1.186 . . . . 70.14 108.769 174.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -66.81 -23.66 66.08 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 123.597 0.759 . . . . 74.43 111.389 -175.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 30.2 m170 76.53 -50.57 0.58 Allowed 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 126.053 1.741 . . . . 65.34 111.538 177.337 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -77.41 107.18 9.66 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 124.123 0.969 . . . . 71.13 108.711 173.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 35.0 p80 -129.53 -169.77 2.17 Favored 'General case' 0 N--CA 1.482 1.126 0 C-N-CA 124.141 0.976 . . . . 70.14 109.655 -177.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 67.3 m80 . . . . . 0 C--O 1.248 1.01 0 N-CA-C 108.794 -0.817 . . . . 72.31 108.794 173.313 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 mpt? . . . . . 0 N--CA 1.486 1.338 0 CA-C-O 120.541 0.21 . . . . 74.33 110.484 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -73.96 85.1 1.76 Allowed 'General case' 0 C--N 1.356 0.888 0 C-N-CA 123.415 0.686 . . . . 73.32 110.07 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.9 -87.51 0.21 Allowed Glycine 0 C--N 1.347 1.149 0 CA-C-N 115.709 -0.678 . . . . 23.21 111.725 -179.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.3 tttt -172.25 169.72 5.33 Favored 'General case' 0 C--O 1.244 0.807 0 C-N-CA 124.102 0.961 . . . . 53.13 109.125 175.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -76.74 86.16 3.36 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 122.922 0.489 . . . . 74.23 110.917 174.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 9.2 mp -77.43 99.04 5.48 Favored 'General case' 0 C--O 1.242 0.699 0 N-CA-C 107.477 -1.305 . . . . 72.34 107.477 169.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 64.3 mtt180 -82.12 119.07 23.57 Favored 'General case' 0 N--CA 1.47 0.559 0 C-N-CA 123.402 0.681 . . . . 74.5 111.378 -172.673 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.558 HG21 ' HG ' ' A' ' 25' ' ' LEU . 5.0 m -101.05 141.15 18.2 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.326 0.65 . . . . 72.34 109.323 174.104 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 21.2 tt0 -117.97 93.59 4.2 Favored 'General case' 0 C--O 1.237 0.398 0 N-CA-C 107.158 -1.423 . . . . 64.22 107.158 165.237 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.499 HD12 HG23 ' A' ' 58' ' ' ILE . 17.0 mm -94.91 108.56 21.0 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.467 0 N-CA-C 105.865 -1.902 . . . . 74.12 105.865 176.375 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 13.5 tmtt? -113.47 124.73 53.09 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.838 0.855 . . . . 74.33 109.732 -170.446 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.8 mm -96.26 135.78 29.26 Favored 'Isoleucine or valine' 0 C--O 1.243 0.75 0 N-CA-C 109.112 -0.699 . . . . 73.01 109.112 175.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 21.2 t70 -115.99 120.26 38.56 Favored 'General case' 0 CA--C 1.537 0.449 0 C-N-CA 123.304 0.642 . . . . 72.45 109.305 178.15 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 49.0 t -108.71 157.44 18.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 123.091 0.556 . . . . 72.45 110.454 -178.161 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -76.52 99.07 1.31 Allowed Glycine 0 C--N 1.349 1.302 0 CA-C-N 115.885 -0.598 . . . . 62.11 111.987 177.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 24.0 m120 69.19 0.32 2.79 Favored 'General case' 0 N--CA 1.489 1.508 0 C-N-CA 124.971 1.309 . . . . 71.41 114.197 174.507 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -84.1 83.97 7.77 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 107.432 -1.321 . . . . 64.03 107.432 174.148 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -65.44 82.24 0.06 Allowed 'General case' 0 N--CA 1.476 0.84 0 CA-C-N 114.171 -1.377 . . . . 54.4 113.171 -169.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 88.0 tttt -169.87 119.58 0.63 Allowed 'General case' 0 C--O 1.236 0.39 0 N-CA-C 107.204 -1.406 . . . . 73.54 107.204 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -74.36 149.18 40.68 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.613 -0.514 . . . . 75.3 109.613 175.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 89.2 m -131.55 104.42 6.95 Favored 'General case' 0 N--CA 1.468 0.43 0 N-CA-C 109.114 -0.699 . . . . 71.34 109.114 177.366 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.474 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 12.6 p -109.03 137.67 46.58 Favored 'General case' 0 N--CA 1.466 0.361 0 C-N-CA 123.864 0.866 . . . . 74.14 109.5 177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 83.7 m-85 -104.12 125.03 50.12 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.483 -0.932 . . . . 74.41 108.483 -179.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -98.78 113.93 26.26 Favored 'General case' 0 C--O 1.235 0.327 0 C-N-CA 124.146 0.978 . . . . 70.43 108.488 178.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.558 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -151.26 162.84 40.17 Favored 'General case' 0 C--O 1.243 0.712 0 CA-C-O 121.719 0.771 . . . . 74.02 109.723 175.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.2 m-85 -136.88 120.26 16.93 Favored 'General case' 0 C--O 1.241 0.606 0 CA-C-N 114.166 -1.379 . . . . 74.44 109.549 -171.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.467 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 78.3 t80 -68.23 93.22 0.44 Allowed 'General case' 0 CA--C 1.543 0.686 0 CA-C-N 115.135 -0.939 . . . . 75.01 108.539 170.042 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -84.94 -33.51 22.65 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.594 0.758 . . . . 41.32 110.14 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.586 ' HB3' ' HG2' ' A' ' 32' ' ' GLU . 37.7 ttpt -165.59 160.48 17.62 Favored 'General case' 0 CA--C 1.548 0.897 0 CA-C-N 114.567 -1.197 . . . . 74.21 108.238 -177.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -63.22 -34.18 77.1 Favored 'General case' 0 N--CA 1.486 1.363 0 C-N-CA 123.668 0.787 . . . . 51.22 112.801 -175.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -69.34 -35.09 75.55 Favored 'General case' 0 N--CA 1.478 0.933 0 O-C-N 123.388 0.43 . . . . 70.02 111.078 177.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.586 ' HG2' ' HB3' ' A' ' 29' ' ' LYS . 11.4 mm-40 -66.9 -50.72 61.55 Favored 'General case' 0 N--CA 1.475 0.79 0 N-CA-C 108.742 -0.836 . . . . 51.4 108.742 178.268 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.467 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -55.86 -36.27 67.39 Favored 'General case' 0 N--CA 1.476 0.86 0 CA-C-N 115.168 -0.924 . . . . 51.25 111.481 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -60.26 -38.74 84.46 Favored 'General case' 0 N--CA 1.48 1.039 0 C-N-CA 124.274 1.03 . . . . 74.14 111.7 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -74.16 -41.36 61.62 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 123.239 0.615 . . . . 64.22 110.378 178.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.9 mm? -63.55 -31.44 72.6 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 115.404 -0.817 . . . . 75.14 111.52 176.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 5.5 tt -57.1 -44.21 82.98 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 124.338 1.055 . . . . 64.54 110.476 175.302 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 45.8 mtpt -72.55 -39.66 67.32 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 115.272 -0.876 . . . . 72.33 110.749 -176.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 61.4 mttp -60.88 -49.97 75.32 Favored 'General case' 0 N--CA 1.481 1.079 0 O-C-N 123.97 0.794 . . . . 72.55 111.104 178.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 85.9 t -65.89 -39.71 85.46 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.78 0 CA-C-N 116.368 -0.378 . . . . 62.24 110.629 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.72 -49.05 79.06 Favored 'General case' 0 N--CA 1.479 0.99 0 O-C-N 123.609 0.568 . . . . 75.24 111.984 -178.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -70.97 -39.91 72.25 Favored 'General case' 0 N--CA 1.48 1.048 0 C-N-CA 122.687 0.395 . . . . 72.33 111.685 -177.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 58.3 mtmt -77.12 -30.47 55.25 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 122.891 0.477 . . . . 63.33 111.554 -175.145 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.07 -36.54 61.77 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.301 0.64 . . . . 72.25 110.06 176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.15 -29.6 69.35 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.286 -0.87 . . . . 53.45 110.64 171.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.744 ' HA ' ' HD3' ' A' ' 49' ' ' LYS . 22.3 t70 -70.38 -34.23 72.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.183 0.993 . . . . 70.43 110.14 -178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.482 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 30.5 mmmt -58.71 -43.78 90.21 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 115.173 -0.921 . . . . 64.22 110.414 173.433 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.535 HG23 ' HA2' ' A' ' 52' ' ' GLY . 30.5 mt -74.1 -30.96 28.45 Favored 'Isoleucine or valine' 0 CA--C 1.554 1.104 0 C-N-CA 123.859 0.864 . . . . 74.42 110.714 -179.606 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.744 ' HD3' ' HA ' ' A' ' 46' ' ' ASP . 46.1 mtpt -57.43 -38.21 74.02 Favored 'General case' 0 N--CA 1.491 1.608 0 C-N-CA 123.953 0.901 . . . . 72.45 112.675 177.417 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 20.3 ptmt -77.6 -37.47 50.29 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.084 0.469 . . . . 72.23 110.705 179.83 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 29.1 tt0 -173.38 134.7 0.53 Allowed 'General case' 0 CA--C 1.536 0.417 0 N-CA-C 107.476 -1.305 . . . . 74.34 107.476 -175.102 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.535 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -55.54 93.23 0.02 OUTLIER Glycine 0 CA--C 1.531 1.084 0 O-C-N 124.132 0.895 . . . . 51.52 114.762 -171.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.424 ' HB2' HG12 ' A' ' 48' ' ' ILE . 53.2 m -77.86 72.34 4.39 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 108.15 -1.056 . . . . 62.15 108.15 170.483 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.6 pttp -82.2 14.01 3.15 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 114.809 -1.087 . . . . 71.43 113.399 -166.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 44.5 ttp180 -135.78 117.44 14.95 Favored 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 123.932 0.893 . . . . 73.53 108.65 166.292 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 77.8 t -109.99 144.32 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 107.399 -1.334 . . . . 75.14 107.399 172.402 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.5 mtpp -124.49 114.26 19.21 Favored 'General case' 0 C--O 1.221 -0.443 0 N-CA-C 108.051 -1.092 . . . . 72.13 108.051 178.22 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.499 HG23 HD12 ' A' ' 10' ' ' ILE . 81.1 mt -101.85 119.0 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.683 0 N-CA-C 107.449 -1.315 . . . . 72.55 107.449 173.448 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 51.4 mtp180 -125.65 152.57 45.03 Favored 'General case' 0 N--CA 1.474 0.727 0 N-CA-C 108.991 -0.744 . . . . 75.52 108.991 176.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 33.5 t80 -153.78 138.14 16.69 Favored 'General case' 0 C--O 1.244 0.783 0 C-N-CA 123.299 0.64 . . . . 55.31 110.067 -176.458 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -94.4 117.49 30.2 Favored 'General case' 0 C--O 1.241 0.626 0 CA-C-N 114.777 -1.102 . . . . 71.14 110.114 -176.269 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.62 160.37 15.01 Favored 'General case' 0 C--O 1.242 0.704 0 C-N-CA 124.476 1.11 . . . . 74.51 108.688 176.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.76 -58.65 0.12 Allowed 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 107.713 -1.217 . . . . 63.22 107.713 176.45 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -126.82 99.73 0.54 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 109.852 -1.299 . . . . 75.13 109.852 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.5 pt? -136.23 168.7 18.91 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 123.736 0.814 . . . . 71.52 109.803 177.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.0 t70 -63.0 146.88 52.21 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.16 0.984 . . . . 74.02 110.592 178.135 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -51.07 -38.82 53.92 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 124.774 1.23 . . . . 64.22 112.732 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -74.47 -48.91 24.51 Favored 'General case' 0 N--CA 1.473 0.719 0 N-CA-C 109.275 -0.639 . . . . 74.03 109.275 -173.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -57.77 -35.87 71.37 Favored 'General case' 0 N--CA 1.479 1.018 0 O-C-N 123.967 0.792 . . . . 64.03 111.761 178.418 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 52.0 ttp180 -67.11 -50.59 60.96 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.107 0.963 . . . . 74.51 110.443 176.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 35.8 ttpt -61.29 -43.17 99.33 Favored 'General case' 0 N--CA 1.48 1.064 0 C-N-CA 124.659 1.184 . . . . 70.34 111.363 -176.606 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 75.9 mmtt -65.94 -53.44 39.19 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 123.835 0.71 . . . . 75.33 110.501 -177.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.29 -31.87 72.47 Favored 'General case' 0 N--CA 1.479 1.015 0 O-C-N 124.162 0.914 . . . . 70.25 111.952 -174.573 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -66.23 -53.63 34.71 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 115.534 -0.757 . . . . 42.45 110.547 179.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -73.03 -30.87 64.06 Favored 'General case' 0 N--CA 1.479 0.98 0 CA-C-N 116.042 -0.526 . . . . 54.22 110.945 -177.386 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.418 ' O ' HG23 ' A' ' 80' ' ' VAL . 89.2 t90 -53.14 -53.04 56.27 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 124.799 1.24 . . . . 73.14 110.685 179.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 58' ' ' ILE . . . -58.11 -38.73 77.04 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 124.497 1.123 . . . . 73.11 111.872 -178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 58.9 mt -68.56 -42.72 77.95 Favored 'General case' 0 CA--C 1.546 0.804 0 CA-C-N 115.006 -0.997 . . . . 74.22 110.441 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -64.5 -42.69 95.68 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.44 0.696 . . . . 71.43 111.38 179.474 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.4 t -58.24 -47.85 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.094 0 C-N-CA 123.819 0.848 . . . . 73.31 109.677 175.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.432 ' HB1' ' OG ' ' A' ' 93' ' ' SER . . . -56.45 -50.85 70.5 Favored 'General case' 0 CA--C 1.547 0.843 0 C-N-CA 124.709 1.204 . . . . 65.22 112.344 -177.676 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 67.9 m-80 -72.43 -28.07 62.72 Favored 'General case' 0 N--CA 1.479 0.984 0 CA-C-N 115.642 -0.708 . . . . 71.2 111.84 -178.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 6.2 tmtt? -62.56 -49.21 76.19 Favored 'General case' 0 N--CA 1.488 1.456 0 C-N-CA 123.562 0.745 . . . . 64.24 109.285 178.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 49.8 mt -64.34 -41.75 93.31 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.188 0 C-N-CA 124.227 1.011 . . . . 74.24 110.076 179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -61.99 -31.65 72.03 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.879 0.872 . . . . 71.24 111.994 178.051 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -71.55 -44.07 65.25 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.903 0.881 . . . . 72.41 110.009 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 56.1 mm-40 -64.46 -44.09 92.18 Favored 'General case' 0 N--CA 1.47 0.527 0 O-C-N 124.198 0.936 . . . . 64.33 112.116 -175.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 42.7 mt -98.05 -12.86 21.42 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-N 115.575 -0.739 . . . . 52.13 112.123 -167.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 69.49 67.6 1.89 Allowed Glycine 0 C--N 1.347 1.172 0 N-CA-C 110.1 -1.2 . . . . 70.21 110.1 -175.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.419 ' HB1' ' HB3' ' A' ' 108' ' ' LEU . . . -130.71 -171.54 2.59 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.982 0.913 . . . . 72.54 110.834 -169.239 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -94.25 -169.78 2.14 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 123.298 0.639 . . . . 62.43 111.615 -171.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.9 mm-40 -92.73 -175.69 4.01 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 123.558 0.743 . . . . 75.24 111.353 -179.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.432 ' OG ' ' HB1' ' A' ' 81' ' ' ALA . 11.4 m -116.5 142.25 47.12 Favored 'General case' 0 N--CA 1.468 0.431 0 C-N-CA 123.855 0.862 . . . . 74.55 110.398 -174.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 5.2 t -93.95 115.22 27.56 Favored 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 108.169 -1.049 . . . . 71.24 108.169 171.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.3 t -107.21 136.63 46.71 Favored 'General case' 0 C--O 1.239 0.533 0 C-N-CA 123.72 0.808 . . . . 63.52 110.155 -174.433 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 20.8 p -129.77 108.7 10.37 Favored 'General case' 0 CA--C 1.542 0.653 0 N-CA-C 108.186 -1.042 . . . . 74.52 108.186 168.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 11.2 t -108.74 120.86 43.72 Favored 'General case' 0 CA--C 1.541 0.632 0 N-CA-C 108.33 -0.989 . . . . 64.33 108.33 177.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -149.46 152.6 35.93 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 109.323 -0.621 . . . . 64.14 109.323 -175.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.38 -27.81 61.15 Favored Glycine 0 C--N 1.349 1.304 0 O-C-N 124.184 0.928 . . . . 51.44 114.164 -176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -66.05 -65.5 0.67 Allowed 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.314 1.045 . . . . 52.3 109.743 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 87.7 m -146.32 148.6 32.57 Favored 'General case' 0 N--CA 1.485 1.309 0 C-N-CA 124.517 1.127 . . . . 70.03 109.439 -178.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 75.2 t80 -102.36 119.94 39.65 Favored 'General case' 0 N--CA 1.473 0.725 0 C-N-CA 123.448 0.699 . . . . 74.23 109.385 177.092 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -144.3 120.31 10.7 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 123.304 0.641 . . . . 72.41 111.618 -179.696 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 63.5 t -117.41 110.8 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.114 0 C-N-CA 124.703 1.201 . . . . 72.12 109.141 173.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -93.0 123.87 36.57 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 108.872 -0.788 . . . . 71.34 108.872 176.017 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.742 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 24.7 t -97.83 105.61 17.47 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 108.117 -1.068 . . . . 53.42 108.117 -175.342 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 49.2 mm -96.96 97.86 6.85 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.411 0 N-CA-C 108.579 -0.897 . . . . 62.44 108.579 -177.706 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.419 ' HB3' ' HB1' ' A' ' 90' ' ' ALA . 82.2 mt -100.91 99.95 10.51 Favored 'General case' 0 C--O 1.22 -0.49 0 N-CA-C 108.307 -0.997 . . . . 71.54 108.307 179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -87.83 94.46 9.77 Favored 'General case' 0 N--CA 1.474 0.757 0 N-CA-C 110.019 -0.363 . . . . 62.32 110.019 -176.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -89.49 110.07 20.94 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 109.187 -0.671 . . . . 72.42 109.187 175.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -134.49 -65.5 0.64 Allowed 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 124.149 0.98 . . . . 62.42 108.94 173.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 42.2 t-80 -116.64 102.38 9.4 Favored 'General case' 0 C--O 1.239 0.548 0 N-CA-C 109.258 -0.645 . . . . 70.03 109.258 174.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 8.8 p80 -155.14 138.18 15.53 Favored 'General case' 0 C--O 1.244 0.765 0 N-CA-C 107.91 -1.144 . . . . 75.53 107.91 177.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -145.98 112.56 5.92 Favored 'General case' 0 C--N 1.328 -0.342 0 N-CA-C 108.215 -1.031 . . . . 72.22 108.215 179.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -145.61 -53.73 0.28 Allowed 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.26 1.024 . . . . 70.1 108.65 179.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 65.16 121.24 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.184 0 O-C-N 124.881 1.363 . . . . 73.35 111.298 -178.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.8 t60 . . . . . 0 CA--C 1.552 1.048 0 C-N-CA 123.19 0.596 . . . . 74.4 109.954 176.31 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.485 1.303 0 N-CA-C 109.858 -0.423 . . . . 60.43 109.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.42 114.7 10.83 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 123.004 0.522 . . . . 52.33 109.623 171.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -59.8 -34.54 82.99 Favored Glycine 0 C--N 1.352 1.421 0 O-C-N 123.632 0.582 . . . . 54.1 112.888 -179.58 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.7 tptm -145.57 127.05 15.02 Favored 'General case' 0 C--O 1.238 0.453 0 C-N-CA 123.678 0.791 . . . . 54.13 109.524 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 47.5 mt-10 -97.9 110.24 22.85 Favored 'General case' 0 C--O 1.243 0.744 0 N-CA-C 108.624 -0.88 . . . . 53.15 108.624 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.45 ' HB2' ' O ' ' A' ' 27' ' ' PHE . 5.0 mp -79.46 103.37 9.33 Favored 'General case' 0 CA--C 1.54 0.562 0 N-CA-C 107.886 -1.153 . . . . 74.25 107.886 -178.068 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 36.5 mtp180 -75.68 128.0 34.26 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.466 0.706 . . . . 75.12 109.948 -173.458 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.548 HG22 ' HD1' ' A' ' 60' ' ' PHE . 3.6 t -122.59 110.66 27.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 N-CA-C 108.585 -0.895 . . . . 63.32 108.585 179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -99.39 99.21 10.1 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 109.097 -0.705 . . . . 73.12 109.097 176.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.466 HG21 HG11 ' A' ' 40' ' ' VAL . 36.1 mm -90.7 112.77 25.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 N-CA-C 107.453 -1.314 . . . . 72.11 107.453 177.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -109.78 113.44 26.2 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.67 0.788 . . . . 73.54 109.044 -172.007 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.721 HG21 ' HG3' ' A' ' 47' ' ' LYS . 24.7 mm -101.19 125.27 55.19 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.619 0 N-CA-C 108.455 -0.943 . . . . 72.32 108.455 176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -120.29 100.49 7.2 Favored 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 109.121 -0.696 . . . . 73.12 109.121 179.513 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.8 p -108.87 104.75 14.06 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.297 0.639 . . . . 60.55 110.76 -175.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 81.76 -117.17 4.36 Favored Glycine 0 C--N 1.346 1.099 0 CA-C-N 115.381 -0.827 . . . . 44.43 113.218 172.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -162.2 -49.36 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.867 0.867 . . . . 74.55 110.348 -175.4 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -96.08 56.65 1.68 Allowed 'General case' 0 N--CA 1.488 1.472 0 CA-C-O 122.255 1.026 . . . . 73.14 109.68 -177.065 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 31.3 t70 -159.79 136.04 8.87 Favored 'General case' 0 C--O 1.24 0.581 0 CA-C-N 114.709 -1.132 . . . . 62.24 109.24 -179.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.8 pttp -66.25 114.75 5.56 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 123.453 0.701 . . . . 61.43 110.709 177.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.19 150.4 43.03 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 124.243 1.017 . . . . 61.15 111.778 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 29.1 m -116.55 115.81 26.44 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 123.691 0.796 . . . . 61.31 109.259 -172.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 30.7 m -128.51 122.68 31.69 Favored 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 123.419 0.687 . . . . 63.44 109.808 -172.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -105.85 127.68 53.27 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.942 0.897 . . . . 72.11 108.783 -173.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -103.82 98.08 7.98 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 107.381 -1.34 . . . . 72.41 107.381 170.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.513 HD13 ' HG ' ' A' ' 36' ' ' LEU . 3.4 pp -115.49 147.3 40.8 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 108.325 -0.991 . . . . 73.04 108.325 178.498 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 23.1 m-85 -99.17 115.08 28.24 Favored 'General case' 0 C--O 1.241 0.619 0 N-CA-C 109.217 -0.66 . . . . 73.52 109.217 177.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.489 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 6.3 t80 -76.53 93.5 3.57 Favored 'General case' 0 CA--C 1.533 0.301 0 CA-C-O 122.425 1.107 . . . . 72.55 108.827 170.669 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.2 m -75.5 127.3 32.79 Favored 'General case' 0 C--N 1.317 -0.839 0 N-CA-C 107.306 -1.368 . . . . 72.42 107.306 159.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 52.4 mtpt -50.76 83.78 0.0 OUTLIER 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 124.573 1.149 . . . . 73.31 110.631 172.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -168.18 177.77 5.33 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.791 -0.64 . . . . 71.35 112.202 -163.187 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -63.79 -25.55 68.23 Favored 'General case' 0 N--CA 1.482 1.138 0 C-N-CA 124.722 1.209 . . . . 73.15 110.843 171.245 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -52.14 -40.65 61.67 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 124.881 1.272 . . . . 74.34 111.342 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.489 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -53.94 -51.78 62.74 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 123.975 0.91 . . . . 75.11 111.361 178.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 37.1 ttpt -62.35 -29.82 70.73 Favored 'General case' 0 CA--C 1.551 1.009 0 C-N-CA 124.602 1.161 . . . . 44.2 111.598 -178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.458 ' HG2' ' NZ ' ' A' ' 39' ' ' LYS . 26.9 tt0 -75.98 -38.04 57.88 Favored 'General case' 0 CA--C 1.555 1.16 0 C-N-CA 122.874 0.47 . . . . 74.45 110.66 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.612 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -66.24 -33.9 76.8 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 123.286 0.635 . . . . 73.24 110.743 173.002 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.498 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 6.8 tt -55.93 -46.2 78.53 Favored 'General case' 0 N--CA 1.482 1.157 0 C-N-CA 124.232 1.013 . . . . 75.44 110.248 173.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 23.9 ttmm -63.29 -40.09 96.39 Favored 'General case' 0 N--CA 1.477 0.885 0 O-C-N 124.248 0.968 . . . . 74.21 111.546 -178.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.612 ' HD2' HD13 ' A' ' 36' ' ' LEU . 64.8 mttp -64.04 -53.7 45.79 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-N 115.209 -0.905 . . . . 71.21 110.739 -179.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.466 HG11 HG21 ' A' ' 10' ' ' ILE . 70.4 t -65.77 -34.82 72.91 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.917 0 C-N-CA 123.882 0.873 . . . . 52.3 111.826 -176.035 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -57.74 -54.31 48.36 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.666 0.786 . . . . 74.4 112.118 -174.049 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -78.22 -31.26 49.26 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 115.813 -0.631 . . . . 72.51 110.974 -176.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -43.43 96.38 Favored 'General case' 0 N--CA 1.487 1.384 0 C-N-CA 123.963 0.905 . . . . 71.2 112.013 176.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.429 ' HB3' HG13 ' A' ' 84' ' ' ILE . . . -74.28 -28.17 61.07 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 123.177 0.591 . . . . 74.31 110.872 178.783 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -67.84 -30.62 70.06 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 122.827 0.451 . . . . 50.12 111.183 174.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.404 ' O ' ' HB3' ' A' ' 49' ' ' LYS . 46.2 m-20 -62.78 -31.33 72.28 Favored 'General case' 0 N--CA 1.491 1.609 0 C-N-CA 123.658 0.783 . . . . 73.41 111.022 170.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.721 ' HG3' HG21 ' A' ' 12' ' ' ILE . 73.7 mmtt -75.91 -38.17 58.01 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 123.432 0.693 . . . . 70.02 110.646 179.115 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.791 HG21 ' HG ' ' A' ' 88' ' ' LEU . 16.8 mm -65.24 -33.92 67.01 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.138 0 N-CA-C 109.144 -0.687 . . . . 71.22 109.144 176.085 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.404 ' HB3' ' O ' ' A' ' 46' ' ' ASP . 36.8 ttpt -57.02 -29.27 63.22 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 125.208 1.403 . . . . 74.33 111.681 178.015 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -70.8 -51.89 24.01 Favored 'General case' 0 N--CA 1.478 0.927 0 O-C-N 123.31 0.381 . . . . 75.25 110.67 176.218 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 87.7 mt-30 -147.05 -72.06 0.22 Allowed 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.577 0.751 . . . . 75.11 110.624 179.272 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -177.11 -25.64 0.03 OUTLIER Glycine 0 C--N 1.349 1.261 0 CA-C-O 119.073 -0.848 . . . . 41.22 113.852 -175.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 39.8 m 58.71 91.79 0.04 OUTLIER 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 124.758 1.223 . . . . 54.43 111.743 177.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.484 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 8.8 mtpm? -82.42 5.91 18.95 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.369 0.668 . . . . 64.15 112.28 -175.867 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 45.6 ttp180 -156.3 115.69 3.52 Favored 'General case' 0 C--N 1.35 0.598 0 CA-C-O 122.003 0.906 . . . . 74.43 110.908 -178.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 90.0 t -124.95 138.16 55.17 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.392 0 N-CA-C 105.848 -1.908 . . . . 71.15 105.848 169.431 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.1 mtpp -130.06 117.99 20.85 Favored 'General case' 0 N--CA 1.472 0.643 0 N-CA-C 108.999 -0.741 . . . . 64.53 108.999 -177.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 95.2 mt -99.35 118.62 46.23 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 N-CA-C 106.259 -1.756 . . . . 74.42 106.259 174.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -114.69 146.12 41.27 Favored 'General case' 0 N--CA 1.478 0.966 0 N-CA-C 108.704 -0.85 . . . . 75.33 108.704 175.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.548 ' HD1' HG22 ' A' ' 8' ' ' VAL . 45.2 t80 -153.08 136.86 16.13 Favored 'General case' 0 CA--C 1.534 0.33 0 N-CA-C 108.473 -0.936 . . . . 73.41 108.473 -177.614 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 34.5 mm-40 -87.29 109.96 19.88 Favored 'General case' 0 C--O 1.238 0.495 0 C-N-CA 124.033 0.933 . . . . 62.32 109.122 -177.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.656 ' HG2' HD11 ' A' ' 65' ' ' LEU . 7.2 ttpt -92.44 11.58 25.72 Favored 'General case' 0 CA--C 1.55 0.969 0 CA-C-N 115.895 -0.593 . . . . 64.12 111.27 179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -72.18 109.02 5.66 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.1 0.56 . . . . 73.2 110.571 -177.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 68.85 68.32 1.68 Allowed Glycine 0 C--N 1.347 1.142 0 O-C-N 124.067 0.854 . . . . 53.33 113.691 172.55 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.656 HD11 ' HG2' ' A' ' 62' ' ' LYS . 2.6 pp -145.28 169.71 17.71 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 123.36 0.664 . . . . 75.15 110.941 173.239 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -67.86 141.86 56.3 Favored 'General case' 0 N--CA 1.476 0.826 0 N-CA-C 109.397 -0.594 . . . . 71.43 109.397 170.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -65.26 -22.16 66.82 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-O 120.778 0.323 . . . . 74.2 110.639 175.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -61.19 -44.5 97.2 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.392 1.077 . . . . 75.24 110.117 169.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -63.12 -39.3 94.29 Favored 'General case' 0 C--N 1.357 0.929 0 O-C-N 123.811 0.695 . . . . 35.21 110.698 177.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.6 tmm_? -66.78 -38.18 86.04 Favored 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 123.577 0.751 . . . . 74.22 110.749 176.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.7 tttt -72.06 -39.68 68.87 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 123.909 0.883 . . . . 74.55 111.166 -174.319 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -77.29 -29.26 53.67 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-N 115.805 -0.634 . . . . 74.3 111.084 176.121 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -71.79 -28.46 63.63 Favored 'General case' 0 N--CA 1.489 1.486 0 C-N-CA 123.578 0.751 . . . . 53.32 110.418 171.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 62.5 tttp -66.79 -51.11 59.62 Favored 'General case' 0 N--CA 1.47 0.572 0 C-N-CA 123.97 0.908 . . . . 72.52 109.195 174.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 54.8 tttm -56.11 -46.58 79.06 Favored 'General case' 0 N--CA 1.474 0.763 0 O-C-N 124.449 1.093 . . . . 75.2 110.704 175.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.498 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 75.6 t90 -58.63 -54.67 44.48 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 124.589 1.181 . . . . 74.43 111.281 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.36 -30.31 70.07 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.971 0.908 . . . . 72.41 111.883 -174.858 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 66.9 mt -65.44 -47.53 75.87 Favored 'General case' 0 C--N 1.353 0.73 0 C-N-CA 123.186 0.594 . . . . 62.24 110.003 171.15 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 52.3 mt-10 -62.73 -36.59 83.51 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.272 0.629 . . . . 74.41 111.279 179.403 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 76' ' ' TRP . 97.3 t -64.07 -49.62 80.7 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.103 0 C-N-CA 123.425 0.69 . . . . 63.43 109.453 174.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -41.7 78.79 Favored 'General case' 0 N--CA 1.479 1.017 0 C-N-CA 124.052 0.941 . . . . 63.33 111.73 -179.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 65.3 m-80 -75.01 -28.44 60.51 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.561 0.744 . . . . 71.34 111.075 176.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.676 ' HE2' ' HA ' ' A' ' 83' ' ' LYS . 4.2 mmpt? -71.27 -29.96 65.71 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.809 -0.557 . . . . 75.23 111.422 177.285 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.617 HG22 HD11 ' A' ' 108' ' ' LEU . 1.8 mp -76.29 -49.64 24.45 Favored 'Isoleucine or valine' 0 CA--C 1.561 1.384 0 C-N-CA 122.901 0.48 . . . . 54.13 109.756 172.682 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -74.66 -54.18 7.9 Favored 'General case' 0 CA--C 1.56 1.33 0 N-CA-C 114.218 1.192 . . . . 72.11 114.218 -171.741 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.7 t30 -60.76 -37.21 81.06 Favored 'General case' 0 N--CA 1.496 1.837 0 C-N-CA 124.639 1.175 . . . . 72.25 112.974 -168.444 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB2' HD22 ' A' ' 88' ' ' LEU . 11.3 mm-40 -65.52 -34.1 77.48 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 122.848 0.459 . . . . 72.33 110.714 -176.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.791 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.0 mm? -100.76 8.51 43.22 Favored 'General case' 0 C--O 1.245 0.839 0 C-N-CA 124.147 0.979 . . . . 71.35 111.427 -178.265 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.81 -79.37 1.28 Allowed Glycine 0 C--N 1.347 1.183 0 N-CA-C 110.281 -1.128 . . . . 62.13 110.281 -173.193 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.697 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 57.6 -154.09 0.36 Allowed 'General case' 0 CA--C 1.556 1.175 0 C-N-CA 124.301 1.04 . . . . 73.51 113.5 164.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -125.5 -173.85 2.93 Favored 'General case' 0 C--N 1.357 0.918 0 C-N-CA 124.146 0.978 . . . . 70.43 108.807 177.386 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.411 ' HG3' ' H ' ' A' ' 93' ' ' SER . 11.3 tp60 -99.55 171.9 7.64 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 122.793 0.437 . . . . 73.44 110.601 -177.693 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.411 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 43.3 p -114.37 144.24 43.61 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.932 1.293 . . . . 73.04 111.154 -171.629 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -95.61 145.73 25.02 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 108.934 -0.765 . . . . 74.43 108.934 174.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.436 HG22 HG22 ' A' ' 104' ' ' VAL . 82.0 p -122.83 114.6 20.72 Favored 'General case' 0 N--CA 1.483 1.183 0 C-N-CA 123.369 0.668 . . . . 63.5 111.359 -172.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.482 ' HB ' ' HB2' ' A' ' 103' ' ' GLU . 41.4 m -82.59 111.21 18.36 Favored 'General case' 0 CA--C 1.553 1.059 0 N-CA-C 108.004 -1.11 . . . . 73.44 108.004 170.674 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -140.7 115.71 9.78 Favored 'General case' 0 N--CA 1.472 0.675 0 C-N-CA 123.246 0.618 . . . . 71.11 109.943 -173.045 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 26.4 t70 -169.58 -83.67 0.01 OUTLIER 'General case' 0 CA--C 1.548 0.87 0 C-N-CA 123.215 0.606 . . . . 74.04 110.802 -176.201 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -142.25 -86.65 0.09 OUTLIER Glycine 0 C--N 1.355 1.593 0 CA-C-O 119.831 -0.427 . . . . 35.11 112.162 -171.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -71.19 104.63 3.15 Favored 'General case' 0 CA--C 1.549 0.935 0 N-CA-C 109.84 -0.43 . . . . 61.24 109.84 -178.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 14.2 m 66.72 112.09 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 125.418 1.487 . . . . 71.22 112.85 179.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.514 ' HB3' ' HD2' ' A' ' 60' ' ' PHE . 75.4 t80 -84.57 118.12 24.15 Favored 'General case' 0 CA--C 1.543 0.685 0 N-CA-C 108.312 -0.996 . . . . 74.42 108.312 169.663 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . 0.482 ' HB2' ' HB ' ' A' ' 96' ' ' THR . 71.4 mt-10 -120.93 153.58 37.05 Favored 'General case' 0 N--CA 1.472 0.66 0 C-N-CA 123.658 0.783 . . . . 74.12 111.238 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.436 HG22 HG22 ' A' ' 95' ' ' THR . 84.7 t -134.02 107.11 9.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 N-CA-C 107.44 -1.319 . . . . 70.34 107.44 167.744 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -94.84 116.14 28.35 Favored 'General case' 0 N--CA 1.471 0.622 0 N-CA-C 108.633 -0.877 . . . . 64.1 108.633 178.382 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.617 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 10.6 t -98.15 105.71 17.66 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.016 -1.105 . . . . 72.41 108.016 -178.743 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 44.5 mm -101.92 103.75 15.4 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.671 -0.862 . . . . 64.43 108.671 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.697 HD22 ' HB1' ' A' ' 90' ' ' ALA . 42.4 mt -106.92 100.23 9.74 Favored 'General case' 0 N--CA 1.47 0.526 0 N-CA-C 108.826 -0.805 . . . . 73.44 108.826 178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.6 mt-10 -76.76 81.01 3.37 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-O 121.97 0.89 . . . . 65.45 109.407 178.705 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.648 HD11 ' HA ' ' A' ' 90' ' ' ALA . 9.9 mp -125.94 113.27 16.95 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 125.384 1.474 . . . . 71.34 107.039 178.131 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.9 mt-10 -70.8 -46.44 62.84 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 109.016 -0.735 . . . . 75.42 109.016 172.315 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.8 p-80 -152.01 164.32 37.44 Favored 'General case' 0 C--O 1.237 0.404 0 CA-C-N 114.776 -1.102 . . . . 63.35 109.403 175.107 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 58.1 t-80 -146.8 160.77 41.86 Favored 'General case' 0 N--CA 1.472 0.633 0 N-CA-C 108.276 -1.009 . . . . 63.23 108.276 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.3 m170 -65.42 95.0 0.19 Allowed 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 109.267 -0.642 . . . . 72.43 109.267 172.568 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -85.72 138.6 31.99 Favored 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 124.317 1.047 . . . . 74.44 111.345 -172.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 66.1 t-80 -136.87 143.48 43.05 Favored 'General case' 0 N--CA 1.469 0.492 0 C-N-CA 123.582 0.753 . . . . 75.34 109.147 176.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 16.5 p80 . . . . . 0 CA--C 1.559 1.308 0 CA-C-O 120.968 0.414 . . . . 75.43 109.919 173.912 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 49.6 ttm . . . . . 0 N--CA 1.478 0.953 0 N-CA-C 109.744 -0.465 . . . . 74.52 109.744 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.56 -51.59 4.68 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.577 0.751 . . . . 63.52 110.58 -178.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -123.0 -165.18 12.29 Favored Glycine 0 C--N 1.346 1.121 0 CA-C-N 115.79 -0.641 . . . . 44.23 112.249 -178.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -69.78 114.43 7.97 Favored 'General case' 0 CA--C 1.539 0.544 0 N-CA-C 109.822 -0.436 . . . . 75.14 109.822 176.127 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -129.74 146.16 51.51 Favored 'General case' 0 C--O 1.243 0.751 0 C-N-CA 123.793 0.837 . . . . 71.53 110.182 -173.424 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.439 HD22 ' O ' ' A' ' 27' ' ' PHE . 5.3 mp -80.03 98.53 7.26 Favored 'General case' 0 CA--C 1.537 0.47 0 N-CA-C 107.775 -1.195 . . . . 65.5 107.775 178.207 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 80.3 mtt85 -83.93 117.55 23.42 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 114.374 -1.285 . . . . 74.23 110.294 -172.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.552 HG21 ' HG ' ' A' ' 25' ' ' LEU . 0.8 OUTLIER -123.7 136.71 59.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 N-CA-C 109.148 -0.686 . . . . 64.53 109.148 175.365 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -118.91 103.8 9.94 Favored 'General case' 0 C--O 1.239 0.51 0 N-CA-C 108.171 -1.048 . . . . 61.12 108.171 164.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.61 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 48.8 mm -89.21 109.59 20.48 Favored 'Isoleucine or valine' 0 C--O 1.224 -0.272 0 N-CA-C 107.268 -1.382 . . . . 72.15 107.268 176.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.698 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 1.2 tmtm? -101.07 114.55 28.59 Favored 'General case' 0 C--O 1.219 -0.509 0 N-CA-C 107.963 -1.125 . . . . 75.32 107.963 -171.725 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 32.1 mm -95.21 114.21 31.29 Favored 'Isoleucine or valine' 0 C--O 1.241 0.619 0 N-CA-C 106.665 -1.606 . . . . 44.01 106.665 169.52 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.405 ' O ' ' HB3' ' A' ' 53' ' ' CYS . 38.8 t70 -88.06 98.33 11.47 Favored 'General case' 0 N--CA 1.467 0.41 0 N-CA-C 108.156 -1.053 . . . . 74.41 108.156 -175.413 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.464 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 45.2 t -128.96 23.02 5.71 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 114.403 -1.271 . . . . 72.32 109.589 -169.433 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 77.32 -138.88 22.47 Favored Glycine 0 C--N 1.34 0.763 0 N-CA-C 110.211 -1.155 . . . . 53.23 110.211 -172.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 55.0 t30 -141.35 103.89 4.5 Favored 'General case' 0 N--CA 1.472 0.641 0 N-CA-C 109.246 -0.649 . . . . 72.31 109.246 176.606 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -74.94 -40.18 60.95 Favored 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 123.844 0.858 . . . . 53.23 110.633 174.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -168.57 -44.44 0.02 OUTLIER 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 106.825 -1.546 . . . . 72.42 106.825 -173.143 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -139.19 167.82 21.22 Favored 'General case' 0 C--O 1.248 1.019 0 CA-C-N 113.408 -1.724 . . . . 74.13 108.4 172.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -79.64 135.97 36.7 Favored 'General case' 0 C--O 1.242 0.668 0 N-CA-C 108.296 -1.001 . . . . 74.51 108.296 171.462 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 10.3 p -81.27 104.49 11.76 Favored 'General case' 0 CA--C 1.536 0.427 0 N-CA-C 109.491 -0.559 . . . . 64.35 109.491 -178.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.473 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 21.7 p -123.51 134.39 53.89 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 123.873 0.869 . . . . 75.31 109.525 176.625 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.61 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 70.5 m-85 -106.47 124.97 50.4 Favored 'General case' 0 N--CA 1.464 0.26 0 N-CA-C 108.719 -0.845 . . . . 72.22 108.719 176.09 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -108.86 114.6 28.51 Favored 'General case' 0 CA--C 1.536 0.441 0 N-CA-C 108.158 -1.052 . . . . 61.34 108.158 176.241 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.552 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.2 pp -133.04 164.37 27.15 Favored 'General case' 0 C--N 1.326 -0.433 0 N-CA-C 108.079 -1.082 . . . . 75.21 108.079 177.65 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 94.7 m-85 -126.06 109.23 12.16 Favored 'General case' 0 C--O 1.241 0.617 0 N-CA-C 109.275 -0.639 . . . . 75.31 109.275 -175.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.439 ' O ' HD22 ' A' ' 6' ' ' LEU . 10.1 t80 -61.92 94.64 0.05 Allowed 'General case' 0 CA--C 1.537 0.445 0 N-CA-C 107.54 -1.282 . . . . 73.24 107.54 168.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 25.3 p -83.3 -58.43 2.84 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 107.927 -1.138 . . . . 73.33 107.927 172.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 14.8 mmmm -134.62 177.45 7.77 Favored 'General case' 0 N--CA 1.481 1.108 0 C-N-CA 124.093 0.957 . . . . 72.51 110.137 175.718 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' HD3' ' A' ' 72' ' ' LYS . . . -71.74 -30.94 66.15 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 123.918 0.887 . . . . 74.13 111.913 -177.353 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 7.6 mp0 -62.24 -50.41 71.87 Favored 'General case' 0 N--CA 1.47 0.57 0 N-CA-C 108.912 -0.773 . . . . 43.24 108.912 178.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -64.41 -38.83 92.4 Favored 'General case' 0 C--O 1.222 -0.378 0 CA-C-N 113.762 -1.563 . . . . 74.12 110.209 179.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.33 -46.65 79.81 Favored 'General case' 0 C--N 1.352 0.684 0 CA-C-N 115.56 -0.746 . . . . 74.05 111.422 178.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -66.74 -29.28 69.21 Favored 'General case' 0 N--CA 1.477 0.901 0 O-C-N 123.719 0.637 . . . . 73.55 112.266 -178.497 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 3.4 tm-20 -71.06 -51.58 24.43 Favored 'General case' 0 CA--C 1.548 0.886 0 N-CA-C 109.285 -0.635 . . . . 74.34 109.285 177.226 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.532 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.8 mm? -63.21 -30.21 71.4 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.784 0.834 . . . . 65.4 111.452 176.338 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 44.7 tp -57.19 -46.75 82.56 Favored 'General case' 0 N--CA 1.48 1.065 0 C-N-CA 125.038 1.335 . . . . 74.34 110.708 175.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -62.99 -43.95 97.37 Favored 'General case' 0 C--N 1.352 0.687 0 O-C-N 124.197 0.936 . . . . 73.42 110.632 179.253 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.532 ' HD2' HD13 ' A' ' 36' ' ' LEU . 96.5 mttt -58.55 -54.03 51.62 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 124.292 0.995 . . . . 71.44 111.324 178.707 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.512 HG13 HG21 ' A' ' 10' ' ' ILE . 97.3 t -62.39 -39.34 83.93 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.665 0 C-N-CA 122.703 0.401 . . . . 74.44 110.945 -177.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -60.57 -52.55 64.67 Favored 'General case' 0 N--CA 1.47 0.57 0 O-C-N 123.787 0.68 . . . . 74.43 111.647 -179.282 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -73.84 -38.88 64.37 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 123.959 0.787 . . . . 74.23 111.224 -174.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.455 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -72.76 -39.85 66.46 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 122.61 0.364 . . . . 73.13 110.833 -175.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.465 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -61.68 -47.38 85.56 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 109.441 -0.577 . . . . 64.32 109.441 173.145 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -58.7 -32.23 68.97 Favored 'General case' 0 C--N 1.351 0.632 0 O-C-N 124.523 1.139 . . . . 73.3 111.678 178.483 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 -62.05 -45.62 92.73 Favored 'General case' 0 C--N 1.361 1.099 0 C-N-CA 123.251 0.62 . . . . 75.0 111.196 175.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.72 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 1.1 mppt? -62.83 -38.67 91.68 Favored 'General case' 0 N--CA 1.483 1.219 0 O-C-N 123.736 0.648 . . . . 61.24 110.788 178.643 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.524 HD13 ' HB2' ' A' ' 53' ' ' CYS . 4.9 mm -73.01 -31.94 37.48 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.092 0 N-CA-C 109.562 -0.532 . . . . 61.12 109.562 179.1 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -70.07 -44.52 68.95 Favored 'General case' 0 CA--C 1.544 0.744 0 C-N-CA 123.663 0.785 . . . . 70.24 111.184 -178.791 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -84.69 -44.19 13.63 Favored 'General case' 0 N--CA 1.477 0.91 0 C-N-CA 123.154 0.582 . . . . 74.35 111.764 -173.868 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 48.3 tt0 -111.34 -43.12 3.75 Favored 'General case' 0 N--CA 1.48 1.053 0 C-N-CA 123.285 0.634 . . . . 63.53 110.959 -173.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 88.16 57.9 1.84 Allowed Glycine 0 C--N 1.34 0.777 0 N-CA-C 110.962 -0.855 . . . . 72.41 110.962 -174.022 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.72 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 52.7 m -59.58 -40.98 89.19 Favored 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 123.962 0.905 . . . . 75.33 111.282 -178.337 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.444 ' HA ' ' HB2' ' A' ' 108' ' ' LEU . 9.6 mtpm? 60.35 9.49 2.0 Allowed 'General case' 0 N--CA 1.489 1.488 0 C-N-CA 124.541 1.136 . . . . 75.42 113.986 172.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 79.7 ttt180 -150.1 120.94 7.6 Favored 'General case' 0 C--O 1.234 0.248 0 N-CA-C 108.262 -1.014 . . . . 72.24 108.262 179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 59.7 t -126.34 148.49 31.03 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 N-CA-C 107.453 -1.314 . . . . 73.32 107.453 179.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.698 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 51.6 mtpt -131.53 140.88 49.6 Favored 'General case' 0 N--CA 1.472 0.625 0 N-CA-C 108.078 -1.082 . . . . 74.25 108.078 176.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 59.3 mt -124.3 111.69 29.56 Favored 'Isoleucine or valine' 0 C--O 1.218 -0.597 0 N-CA-C 107.555 -1.276 . . . . 74.23 107.555 -179.883 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 38.4 ttm-85 -110.49 131.15 55.3 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 107.636 -1.246 . . . . 74.22 107.636 -179.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.431 ' CE2' ' HB1' ' A' ' 73' ' ' ALA . 0.7 OUTLIER -156.81 132.4 9.38 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 108.175 -1.046 . . . . 63.31 108.175 -177.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.446 ' O ' ' HE3' ' A' ' 62' ' ' LYS . 32.6 tt0 -77.94 140.1 39.24 Favored 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.05 0.94 . . . . 63.32 109.445 178.771 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.695 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 0.5 OUTLIER -110.43 -19.1 13.07 Favored 'General case' 0 N--CA 1.494 1.737 0 C-N-CA 123.721 0.808 . . . . 62.2 111.411 178.271 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.415 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 1.1 tmmt? -65.52 -40.23 92.73 Favored 'General case' 0 C--O 1.245 0.848 0 C-N-CA 124.248 1.019 . . . . 71.34 111.679 -171.472 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -80.77 -5.44 90.02 Favored Glycine 0 C--N 1.339 0.708 0 N-CA-C 114.165 0.426 . . . . 73.11 114.165 179.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 8.4 mp -93.45 135.74 34.4 Favored 'General case' 0 C--O 1.24 0.596 0 C-N-CA 123.109 0.564 . . . . 65.14 111.6 -171.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -57.28 155.96 8.2 Favored 'General case' 0 N--CA 1.479 1.012 0 CA-C-N 114.823 -1.081 . . . . 65.32 109.441 165.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -50.76 -45.79 59.05 Favored 'General case' 0 N--CA 1.494 1.76 0 C-N-CA 123.418 0.687 . . . . 64.15 112.356 -178.055 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -72.56 -42.91 64.12 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 115.787 -0.642 . . . . 72.21 111.001 -178.805 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.9 81.07 Favored 'General case' 0 N--CA 1.48 1.044 0 O-C-N 123.56 0.538 . . . . 74.4 111.311 176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.695 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 69.8 ttt180 -72.26 -42.6 65.41 Favored 'General case' 0 N--CA 1.464 0.257 0 C-N-CA 125.279 1.432 . . . . 64.4 110.586 -175.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.3 -47.36 73.84 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 124.621 1.201 . . . . 64.21 111.253 -177.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.592 ' HD3' ' HB2' ' A' ' 30' ' ' ALA . 56.6 mttp -66.69 -37.22 84.3 Favored 'General case' 0 CA--C 1.541 0.621 0 O-C-N 124.021 0.826 . . . . 62.22 111.007 177.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.431 ' HB1' ' CE2' ' A' ' 60' ' ' PHE . . . -72.3 -33.04 67.1 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 123.653 0.781 . . . . 41.12 111.692 -179.503 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.9 ttpp -68.68 -45.46 71.62 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.115 0.966 . . . . 71.41 109.315 175.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.455 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 81.1 tttt -60.31 -44.53 95.36 Favored 'General case' 0 C--N 1.355 0.847 0 CA-C-N 115.343 -0.844 . . . . 53.24 109.807 174.336 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.423 ' O ' HG23 ' A' ' 80' ' ' VAL . 85.5 t90 -58.62 -46.56 86.81 Favored 'General case' 0 N--CA 1.472 0.671 0 O-C-N 124.475 1.109 . . . . 74.52 110.946 -178.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -58.96 -38.15 78.4 Favored 'General case' 0 CA--C 1.543 0.684 0 O-C-N 123.835 0.709 . . . . 72.3 110.998 178.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.4 mt -72.87 -35.85 67.27 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.769 -0.651 . . . . 72.2 110.856 176.017 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 9.7 mm-40 -69.46 -32.15 70.9 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 122.851 0.46 . . . . 65.01 110.741 -179.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 76' ' ' TRP . 61.9 t -62.91 -45.77 98.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 123.539 0.735 . . . . 61.42 109.104 172.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -60.85 -43.9 97.71 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 115.083 -0.962 . . . . 74.0 111.538 177.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -70.22 -30.02 67.0 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 123.692 0.797 . . . . 54.34 110.85 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -70.74 -53.06 16.94 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 123.351 0.66 . . . . 73.04 110.915 -178.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.507 HG22 HD11 ' A' ' 108' ' ' LEU . 48.5 mt -66.05 -35.14 74.34 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.037 0 O-C-N 123.94 0.775 . . . . 73.43 109.829 -179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.79 -43.62 97.88 Favored 'General case' 0 C--N 1.356 0.882 0 CA-C-N 115.595 -0.729 . . . . 60.31 110.848 173.345 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -65.34 -47.08 77.71 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 123.882 0.873 . . . . 65.43 110.931 -178.713 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 21.0 mm-40 -57.79 -45.78 85.54 Favored 'General case' 0 N--CA 1.479 0.996 0 O-C-N 123.79 0.681 . . . . 73.52 111.076 -174.691 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.46 HD22 ' HB2' ' A' ' 87' ' ' GLU . 3.2 mm? -92.76 -8.07 44.77 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-N 115.489 -0.778 . . . . 72.23 112.24 -176.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 70.28 24.44 76.66 Favored Glycine 0 CA--C 1.534 1.28 0 O-C-N 123.099 0.249 . . . . 70.23 112.841 -177.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -96.06 179.73 4.97 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 124.141 0.976 . . . . 74.11 109.993 178.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt -83.91 172.54 12.0 Favored 'General case' 0 C--O 1.24 0.602 0 CA-C-O 121.197 0.522 . . . . 74.31 111.067 179.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 2.3 mp0 -79.22 -148.36 0.05 OUTLIER 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 124.428 1.091 . . . . 70.15 111.172 -177.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 53.1 p -124.74 152.52 43.69 Favored 'General case' 0 C--O 1.238 0.493 0 C-N-CA 123.284 0.634 . . . . 71.3 112.514 -164.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.8 p -97.34 131.54 43.93 Favored 'General case' 0 CA--C 1.536 0.432 0 N-CA-C 108.073 -1.084 . . . . 74.44 108.073 165.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 10.1 t -105.65 135.62 46.73 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-O 121.053 0.454 . . . . 62.43 111.09 -174.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 84.8 m -100.66 113.56 26.51 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.326 1.05 . . . . 65.1 108.939 168.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 2.6 t -93.86 112.57 24.44 Favored 'General case' 0 CA--C 1.547 0.857 0 CA-C-O 121.469 0.652 . . . . 63.51 110.343 178.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 27.4 t70 -95.59 -19.11 20.03 Favored 'General case' 0 N--CA 1.483 1.203 0 C-N-CA 123.848 0.859 . . . . 62.31 110.395 178.023 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 87.26 -61.53 4.24 Favored Glycine 0 C--N 1.351 1.388 0 N-CA-C 110.9 -0.88 . . . . 32.52 110.9 -179.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.415 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 21.8 t70 -62.03 -47.86 82.85 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 123.835 0.854 . . . . 74.43 109.408 170.312 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.439 ' HA ' ' HA ' ' A' ' 61' ' ' GLU . 3.8 m -116.55 168.61 10.02 Favored 'General case' 0 CA--C 1.55 0.966 0 CA-C-N 114.448 -1.251 . . . . 52.03 108.843 174.793 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 39.9 t80 -142.9 108.51 5.09 Favored 'General case' 0 C--O 1.239 0.501 0 N-CA-C 107.948 -1.13 . . . . 40.25 107.948 176.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -103.82 138.03 41.0 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 108.702 -0.851 . . . . 54.32 108.702 179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.436 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 59.3 t -132.36 104.28 7.51 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 N-CA-C 106.773 -1.566 . . . . 74.23 106.773 -178.594 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 33.9 tt0 -98.07 120.42 38.43 Favored 'General case' 0 N--CA 1.476 0.838 0 N-CA-C 109.172 -0.677 . . . . 75.22 109.172 -177.25 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.457 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 3.1 t -96.48 105.28 16.89 Favored 'Isoleucine or valine' 0 C--O 1.24 0.557 0 C-N-CA 124.417 1.087 . . . . 73.44 108.314 -178.112 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 3.7 mp -91.95 99.1 9.18 Favored 'Isoleucine or valine' 0 C--O 1.244 0.779 0 N-CA-C 107.511 -1.292 . . . . 70.52 107.511 177.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.507 HD11 HG22 ' A' ' 84' ' ' ILE . 84.1 mt -82.0 101.93 10.63 Favored 'General case' 0 C--O 1.24 0.594 0 N-CA-C 109.258 -0.645 . . . . 65.11 109.258 -179.539 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -93.59 87.22 5.43 Favored 'General case' 0 C--O 1.235 0.299 0 N-CA-C 109.322 -0.621 . . . . 74.34 109.322 177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.442 HD23 ' HG2' ' A' ' 54' ' ' LYS . 2.8 mm? -84.42 101.61 12.14 Favored 'General case' 0 C--O 1.243 0.72 0 N-CA-C 108.259 -1.015 . . . . 75.35 108.259 171.17 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 25.0 mt-10 68.39 118.67 0.03 OUTLIER 'General case' 0 N--CA 1.473 0.723 0 C-N-CA 125.111 1.364 . . . . 74.31 111.603 177.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 41.5 m80 -84.45 56.99 4.05 Favored 'General case' 0 N--CA 1.475 0.807 0 CA-C-O 121.928 0.871 . . . . 74.52 108.843 168.676 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -95.84 6.15 49.6 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.184 -0.916 . . . . 74.32 109.96 176.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 57.4 m-70 -106.81 106.31 16.78 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.548 1.139 . . . . 54.34 108.204 178.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 64.7 m80 -72.37 90.09 1.26 Allowed 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 123.196 0.599 . . . . 71.5 110.883 -172.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 36.4 m80 -99.06 53.96 0.98 Allowed 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 108.664 -0.865 . . . . 70.21 108.664 175.583 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 78.0 t60 . . . . . 0 C--O 1.248 1.025 0 N-CA-C 108.081 -1.081 . . . . 74.23 108.081 179.773 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 63.6 mtt . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 109.312 -0.625 . . . . 71.41 109.312 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.11 162.0 22.69 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 123.819 0.848 . . . . 52.14 109.996 -177.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -157.06 179.61 32.71 Favored Glycine 0 C--N 1.337 0.608 0 N-CA-C 110.802 -0.919 . . . . 41.41 110.802 177.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 64.8 pttt -148.3 -176.44 5.3 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 123.307 0.643 . . . . 73.51 110.546 -177.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 70.27 -71.7 0.12 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.628 1.571 . . . . 75.33 112.001 176.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.2 mp -101.6 98.17 8.51 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 108.777 -0.823 . . . . 61.21 108.777 -178.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 23.9 ttt85 -87.41 116.97 25.87 Favored 'General case' 0 N--CA 1.474 0.729 0 C-N-CA 122.988 0.515 . . . . 74.14 109.748 -177.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.449 HG11 ' HH2' ' A' ' 76' ' ' TRP . 20.4 t -98.7 121.37 49.2 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.344 0 N-CA-C 108.496 -0.927 . . . . 74.45 108.496 175.212 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -113.79 102.64 10.42 Favored 'General case' 0 N--CA 1.466 0.336 0 N-CA-C 108.606 -0.887 . . . . 71.52 108.606 171.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 44.2 mm -93.13 111.83 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 N-CA-C 105.968 -1.864 . . . . 44.22 105.968 170.315 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.1 ttmt -114.3 136.55 52.85 Favored 'General case' 0 N--CA 1.468 0.427 0 N-CA-C 108.502 -0.925 . . . . 74.35 108.502 -168.436 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.479 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 39.3 mm -116.04 119.45 61.93 Favored 'Isoleucine or valine' 0 C--O 1.242 0.659 0 N-CA-C 107.776 -1.194 . . . . 70.12 107.776 -176.587 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -114.91 97.04 6.01 Favored 'General case' 0 N--CA 1.471 0.587 0 C-N-CA 123.697 0.799 . . . . 65.12 109.013 173.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 43.2 t -85.5 -39.02 17.92 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.575 0.75 . . . . 72.3 109.907 175.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 167.74 -66.36 0.19 Allowed Glycine 0 C--N 1.349 1.253 0 N-CA-C 111.829 -0.508 . . . . 51.45 111.829 178.738 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -94.97 39.06 1.11 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 123.551 0.74 . . . . 71.01 110.743 -174.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -85.55 63.58 8.15 Favored 'General case' 0 C--O 1.241 0.63 0 C-N-CA 123.318 0.647 . . . . 74.31 109.813 178.565 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -60.06 -52.79 63.87 Favored 'General case' 0 N--CA 1.477 0.914 0 N-CA-C 107.616 -1.253 . . . . 74.11 107.616 165.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.2 tmtm? -75.06 96.99 3.32 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 105.825 -1.917 . . . . 62.13 105.825 161.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -62.1 131.1 48.43 Favored 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 122.834 0.454 . . . . 72.44 110.375 177.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.479 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 57.0 m -89.48 103.18 15.84 Favored 'General case' 0 CA--C 1.534 0.355 0 N-CA-C 107.567 -1.271 . . . . 72.21 107.567 -178.836 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 5.3 m -130.62 126.52 36.85 Favored 'General case' 0 C--O 1.239 0.541 0 C-N-CA 122.476 0.311 . . . . 74.3 110.397 -170.291 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 96.9 m-85 -107.9 125.18 51.17 Favored 'General case' 0 C--N 1.346 0.42 0 C-N-CA 123.622 0.769 . . . . 74.24 110.022 -178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.447 ' HA ' ' O ' ' A' ' 8' ' ' VAL . 8.3 p-10 -92.81 120.61 33.35 Favored 'General case' 0 C--O 1.237 0.441 0 N-CA-C 108.353 -0.98 . . . . 71.21 108.353 174.349 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.667 HD13 ' HB3' ' A' ' 36' ' ' LEU . 25.0 mt -105.14 -46.96 4.11 Favored 'General case' 0 N--CA 1.482 1.141 0 C-N-CA 123.156 0.582 . . . . 44.14 109.772 -178.74 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 82.3 m-85 67.1 103.7 0.05 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 CA-C-N 114.122 -1.399 . . . . 75.32 111.43 -176.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 33' ' ' ALA . 62.5 t80 -91.03 162.16 14.82 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 124.856 1.262 . . . . 73.44 109.674 -175.085 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 27.8 p -154.64 -59.98 0.12 Allowed 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 124.033 0.933 . . . . 73.22 109.21 174.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 45.0 mtmt -129.95 174.94 9.28 Favored 'General case' 0 N--CA 1.485 1.283 0 C-N-CA 124.496 1.118 . . . . 73.31 108.893 178.032 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -72.68 -20.71 61.19 Favored 'General case' 0 N--CA 1.477 0.881 0 N-CA-C 113.382 0.882 . . . . 75.04 113.382 -172.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.473 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 23.5 mm-40 -71.39 -41.77 69.2 Favored 'General case' 0 N--CA 1.484 1.231 0 CA-C-O 121.31 0.576 . . . . 73.12 110.926 -174.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -73.86 -34.02 64.32 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 114.794 -1.094 . . . . 62.55 109.418 174.654 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 76' ' ' TRP . . . -58.48 -50.29 74.26 Favored 'General case' 0 CA--C 1.543 0.68 0 O-C-N 123.661 0.6 . . . . 54.43 111.451 179.213 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.473 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 50.9 mtmt -59.18 -35.94 74.45 Favored 'General case' 0 N--CA 1.488 1.453 0 C-N-CA 123.717 0.807 . . . . 74.5 111.637 -179.257 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.638 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 36.6 tt0 -76.09 -50.53 14.44 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 115.412 -0.813 . . . . 72.03 110.695 -175.215 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.667 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.7 mm? -62.92 -32.99 74.4 Favored 'General case' 0 N--CA 1.479 1.024 0 C-N-CA 123.607 0.763 . . . . 61.31 111.055 177.262 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.631 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 6.3 tt -61.6 -46.45 89.79 Favored 'General case' 0 N--CA 1.483 1.221 0 C-N-CA 124.182 0.993 . . . . 60.13 110.338 173.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.441 ' HB2' ' NZ ' ' A' ' 38' ' ' LYS . 4.3 ttmp? -67.74 -32.06 72.42 Favored 'General case' 0 N--CA 1.476 0.865 0 CA-C-N 115.084 -0.962 . . . . 74.54 110.75 -177.659 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.638 ' HE2' ' HG2' ' A' ' 35' ' ' GLU . 69.1 mttm -68.89 -46.12 69.21 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-N 115.301 -0.863 . . . . 71.34 110.146 174.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.433 HG12 HD11 ' A' ' 84' ' ' ILE . 75.2 t -62.72 -31.83 53.55 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 C-N-CA 122.915 0.486 . . . . 65.23 110.684 178.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -53.24 -51.88 60.77 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 123.862 0.865 . . . . 73.0 112.084 176.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -74.88 -35.56 62.3 Favored 'General case' 0 CA--C 1.551 0.981 0 O-C-N 123.58 0.55 . . . . 64.12 111.789 -179.419 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.573 ' HE2' ' HB3' ' A' ' 39' ' ' LYS . 63.3 mttm -63.5 -53.94 44.05 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 122.763 0.425 . . . . 72.2 110.986 -177.692 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.457 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -70.73 -40.94 72.49 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 123.438 0.695 . . . . 74.13 111.057 -173.2 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -59.16 -29.33 67.36 Favored 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.494 0.718 . . . . 52.12 112.102 178.142 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -66.52 -43.01 86.41 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.236 1.014 . . . . 74.12 111.264 178.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.585 ' HB2' ' SG ' ' A' ' 53' ' ' CYS . 1.8 mptp? -62.99 -44.06 97.09 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 109.659 -0.497 . . . . 62.33 109.659 176.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.533 HG21 HD13 ' A' ' 88' ' ' LEU . 63.7 mt -61.73 -34.07 60.57 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 114.744 -1.116 . . . . 74.34 110.949 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -73.27 -47.44 43.03 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.056 -0.974 . . . . 73.42 110.656 -178.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -79.55 -27.26 41.27 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 112.254 0.464 . . . . 74.33 112.254 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 64.9 tt0 -152.26 -71.67 0.15 Allowed 'General case' 0 N--CA 1.478 0.941 0 C-N-CA 122.986 0.514 . . . . 75.22 110.23 -173.139 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.473 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 158.99 162.29 11.84 Favored Glycine 0 C--N 1.347 1.167 0 CA-C-N 115.889 -0.596 . . . . 52.23 111.934 -177.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.585 ' SG ' ' HB2' ' A' ' 47' ' ' LYS . 72.8 m -140.44 90.34 2.35 Favored 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 107.247 -1.39 . . . . 61.24 107.247 166.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -65.95 -35.99 82.12 Favored 'General case' 0 N--CA 1.479 0.975 0 CA-C-O 121.121 0.486 . . . . 70.32 111.051 -178.51 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 18.0 mmt85 -130.77 129.97 43.14 Favored 'General case' 0 N--CA 1.465 0.295 0 C-N-CA 124.207 1.003 . . . . 74.14 108.458 178.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.4 HG13 HD13 ' A' ' 12' ' ' ILE . 79.0 t -127.68 118.8 50.13 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.803 0 N-CA-C 106.512 -1.662 . . . . 71.03 106.512 170.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.7 mtpt -114.45 120.93 41.98 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 118.715 0.689 . . . . 65.24 109.882 -175.231 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 79.1 mt -99.52 111.7 29.83 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.525 0 N-CA-C 107.149 -1.426 . . . . 74.03 107.149 179.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 53.8 ttp180 -112.84 127.53 56.2 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.022 -1.103 . . . . 75.44 108.022 179.611 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 76.4 t80 -150.58 143.52 24.71 Favored 'General case' 0 CA--C 1.546 0.806 0 N-CA-C 109.154 -0.684 . . . . 74.33 109.154 -175.377 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -77.56 155.22 31.7 Favored 'General case' 0 N--CA 1.484 1.258 0 C-N-CA 123.419 0.687 . . . . 62.34 111.7 -176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.503 ' HE2' ' HA ' ' A' ' 70' ' ' ARG . 0.0 OUTLIER -119.34 -85.33 0.65 Allowed 'General case' 0 N--CA 1.482 1.147 0 N-CA-C 106.667 -1.605 . . . . 72.41 106.667 164.673 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 36.7 ttpt 66.94 -76.81 0.05 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.181 1.392 . . . . 70.5 112.476 168.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -152.68 28.68 0.84 Allowed Glycine 0 C--N 1.345 1.041 0 CA-C-O 119.552 -0.582 . . . . 33.31 113.528 -177.079 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 62' ' ' LYS . 1.3 pp -77.31 167.09 22.28 Favored 'General case' 0 N--CA 1.481 1.112 0 CA-C-N 117.727 0.764 . . . . 74.34 109.869 172.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 36.1 t70 -64.81 148.76 50.65 Favored 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 123.139 0.576 . . . . 55.01 110.318 -179.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 22.7 t70 -58.44 -31.04 67.39 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.318 0.647 . . . . 54.51 112.215 -177.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 30.8 t70 -67.96 -46.16 72.18 Favored 'General case' 0 N--CA 1.469 0.495 0 N-CA-C 108.942 -0.762 . . . . 74.0 108.942 178.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.77 -32.3 73.42 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 124.256 0.973 . . . . 73.1 111.332 176.448 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.503 ' HA ' ' HE2' ' A' ' 62' ' ' LYS . 52.6 ttp180 -67.04 -50.12 62.98 Favored 'General case' 0 N--CA 1.48 1.044 0 C-N-CA 123.517 0.727 . . . . 63.13 110.498 176.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -73.49 -31.76 63.92 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 114.941 -1.027 . . . . 74.33 111.086 -172.204 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 41.1 mmtm -70.02 -52.7 21.99 Favored 'General case' 0 N--CA 1.47 0.563 0 N-CA-C 109.491 -0.559 . . . . 74.41 109.491 174.677 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -67.01 -32.15 73.19 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 124.257 0.973 . . . . 62.04 113.118 -172.308 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 21.8 ptmt -70.31 -40.73 74.03 Favored 'General case' 0 N--CA 1.475 0.822 0 O-C-N 123.467 0.479 . . . . 74.43 110.231 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -72.2 -39.59 68.48 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 124.195 0.998 . . . . 64.01 109.737 177.477 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.631 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 55.3 t90 -64.03 -48.38 76.53 Favored 'General case' 0 C--O 1.216 -0.678 0 C-N-CA 125.191 1.397 . . . . 74.41 111.486 -175.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.465 ' HB3' ' HE2' ' A' ' 102' ' ' PHE . . . -63.21 -30.76 71.85 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 123.654 0.596 . . . . 72.02 111.306 -177.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 97.1 mt -70.73 -40.47 72.74 Favored 'General case' 0 N--CA 1.475 0.823 0 CA-C-N 115.713 -0.676 . . . . 63.11 110.372 172.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -67.87 -32.97 73.84 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.126 0.57 . . . . 72.23 111.521 178.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 76' ' ' TRP . 88.8 t -66.22 -47.15 85.45 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.212 0 N-CA-C 108.746 -0.835 . . . . 65.24 108.746 174.702 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.85 -51.26 64.16 Favored 'General case' 0 CA--C 1.543 0.675 0 CA-C-N 114.646 -1.161 . . . . 64.12 111.869 179.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 m-80 -75.91 -26.37 56.91 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 123.821 0.848 . . . . 72.11 112.205 178.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -63.67 -51.43 65.13 Favored 'General case' 0 N--CA 1.49 1.567 0 C-N-CA 123.441 0.696 . . . . 51.35 110.565 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.433 HD11 HG12 ' A' ' 40' ' ' VAL . 1.8 mp -65.88 -47.95 83.71 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.69 0 O-C-N 124.386 1.054 . . . . 74.21 108.688 177.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.39 -31.52 69.32 Favored 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 123.457 0.703 . . . . 73.42 112.514 -178.668 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -65.16 -28.68 69.58 Favored 'General case' 0 N--CA 1.487 1.423 0 C-N-CA 123.862 0.865 . . . . 71.51 111.554 -177.398 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.436 ' HB2' HD23 ' A' ' 88' ' ' LEU . 14.4 mm-40 -69.86 -16.1 63.2 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 123.629 0.772 . . . . 62.34 112.154 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.533 HD13 HG21 ' A' ' 48' ' ' ILE . 0.2 OUTLIER -140.57 4.3 1.94 Allowed 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 123.39 0.676 . . . . 61.52 112.256 -174.449 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 77.97 -67.0 3.03 Favored Glycine 0 N--CA 1.473 1.152 0 CA-C-N 118.023 0.374 . . . . 74.11 112.291 -175.739 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . 65.75 -162.41 0.25 Allowed 'General case' 0 C--N 1.357 0.902 0 C-N-CA 124.784 1.233 . . . . 54.53 112.538 171.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.9 tmmm? -97.32 -86.06 0.34 Allowed 'General case' 0 CA--C 1.55 0.971 0 N-CA-C 107.526 -1.287 . . . . 70.34 107.526 172.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.8 tp-100 175.44 163.9 0.3 Allowed 'General case' 0 N--CA 1.491 1.585 0 C-N-CA 123.98 0.912 . . . . 74.13 109.638 -176.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 51.3 p -95.88 146.6 24.45 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 124.234 1.014 . . . . 65.14 112.05 172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.461 HG22 HD11 ' A' ' 107' ' ' ILE . 9.2 t -100.82 147.07 26.5 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 123.867 0.867 . . . . 72.23 109.515 167.348 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 21.1 m -103.38 139.37 38.88 Favored 'General case' 0 C--O 1.239 0.504 0 C-N-CA 123.672 0.789 . . . . 75.33 110.37 -175.414 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.0 m -129.62 112.3 13.56 Favored 'General case' 0 CA--C 1.538 0.489 0 N-CA-C 107.635 -1.246 . . . . 74.42 107.635 169.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -114.37 146.82 40.08 Favored 'General case' 0 C--O 1.242 0.698 0 C-N-CA 123.553 0.741 . . . . 75.33 109.54 -176.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -162.04 165.74 26.85 Favored 'General case' 0 C--O 1.246 0.885 0 N-CA-C 108.966 -0.753 . . . . 70.0 108.966 177.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -70.95 -29.31 69.26 Favored Glycine 0 C--N 1.347 1.151 0 CA-C-N 116.185 -0.462 . . . . 61.01 112.997 178.276 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -99.07 -30.25 12.42 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 117.329 0.565 . . . . 71.41 112.207 -176.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 13.3 m -145.44 155.79 43.35 Favored 'General case' 0 N--CA 1.485 1.28 0 CA-C-O 121.154 0.502 . . . . 74.24 110.941 -176.372 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.465 ' HE2' ' HB3' ' A' ' 77' ' ' ALA . 72.9 t80 -138.04 120.0 15.44 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.296 -1.002 . . . . 72.34 108.296 175.483 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -134.07 139.0 45.68 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 123.268 0.627 . . . . 72.44 109.964 -178.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -125.69 115.51 43.42 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 N-CA-C 107.79 -1.189 . . . . 51.53 107.79 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -93.42 117.98 30.74 Favored 'General case' 0 N--CA 1.464 0.246 0 N-CA-C 107.565 -1.272 . . . . 73.54 107.565 175.472 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.14 106.71 19.34 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 N-CA-C 107.356 -1.35 . . . . 24.33 107.356 -178.53 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.579 HG22 ' HG3' ' A' ' 109' ' ' GLU . 2.8 mp -97.26 100.74 11.23 Favored 'Isoleucine or valine' 0 C--O 1.24 0.571 0 N-CA-C 108.716 -0.846 . . . . 44.25 108.716 -174.578 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 53' ' ' CYS . 22.1 mt -96.77 100.28 11.83 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 108.657 -0.868 . . . . 75.42 108.657 178.532 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.579 ' HG3' HG22 ' A' ' 107' ' ' ILE . 42.5 mt-10 -109.14 89.59 3.04 Favored 'General case' 0 N--CA 1.48 1.049 0 N-CA-C 109.237 -0.653 . . . . 55.11 109.237 -176.674 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 5.0 mp -120.48 137.37 54.39 Favored 'General case' 0 N--CA 1.478 0.926 0 N-CA-C 108.681 -0.859 . . . . 72.25 108.681 177.501 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.9 tp10 -143.01 133.54 24.95 Favored 'General case' 0 C--O 1.236 0.348 0 N-CA-C 109.518 -0.549 . . . . 64.44 109.518 175.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 66.8 m-70 -112.79 126.79 55.81 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 107.834 -1.173 . . . . 65.23 107.834 179.536 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.9 p-80 -68.79 75.51 0.29 Allowed 'General case' 0 CA--C 1.558 1.28 0 C-N-CA 124.104 0.962 . . . . 74.02 112.083 -177.003 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 179.33 -25.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 125.286 1.435 . . . . 73.44 109.518 -174.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 25.8 t60 -50.69 -56.34 12.38 Favored 'General case' 0 N--CA 1.486 1.367 0 C-N-CA 125.069 1.348 . . . . 74.22 111.682 179.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 53.0 m80 63.43 -75.43 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 124.962 1.305 . . . . 73.32 111.596 -178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 32.6 m170 . . . . . 0 N--CA 1.48 1.039 0 C-N-CA 124.209 1.003 . . . . 72.34 109.125 178.411 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.9 ttt . . . . . 0 N--CA 1.486 1.362 0 N-CA-C 110.115 -0.328 . . . . 74.12 110.115 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 67.72 99.17 0.05 Allowed 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 124.922 1.289 . . . . 74.45 111.325 -176.211 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -99.36 -135.1 8.76 Favored Glycine 0 N--CA 1.468 0.788 0 N-CA-C 111.147 -0.781 . . . . 41.41 111.147 175.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? 60.31 -175.81 0.11 Allowed 'General case' 0 N--CA 1.49 1.558 0 C-N-CA 124.668 1.187 . . . . 62.03 112.062 176.255 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 56.86 79.46 0.18 Allowed 'General case' 0 CA--C 1.559 1.324 0 C-N-CA 124.625 1.17 . . . . 74.03 112.561 167.391 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.518 HD22 ' HB2' ' A' ' 27' ' ' PHE . 6.7 mp -100.1 101.06 12.01 Favored 'General case' 0 N--CA 1.479 1.024 0 N-CA-C 109.182 -0.673 . . . . 74.34 109.182 -178.662 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -86.93 140.92 29.13 Favored 'General case' 0 N--CA 1.474 0.733 0 C-N-CA 124.296 1.038 . . . . 75.35 110.649 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.671 HG21 ' HG ' ' A' ' 25' ' ' LEU . 34.3 m -123.69 142.52 40.11 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.726 0 C-N-CA 124.2 1.0 . . . . 75.14 109.881 179.876 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -112.41 95.79 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 108.09 -1.078 . . . . 74.15 108.09 165.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.433 HD13 HG23 ' A' ' 58' ' ' ILE . 37.2 mm -92.15 114.76 29.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.587 0 N-CA-C 106.564 -1.643 . . . . 62.34 106.564 175.654 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 29.5 mmmt -116.18 124.16 49.6 Favored 'General case' 0 N--CA 1.482 1.131 0 CA-C-O 121.1 0.476 . . . . 74.24 110.838 -166.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 50.1 mm -97.22 112.68 29.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.626 0 N-CA-C 108.567 -0.901 . . . . 74.33 108.567 176.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -115.32 101.34 8.84 Favored 'General case' 0 N--CA 1.472 0.653 0 C-N-CA 124.029 0.931 . . . . 53.24 109.562 -175.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 53' ' ' CYS . 20.8 p -131.43 29.52 4.56 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.897 0.879 . . . . 73.02 108.953 -179.328 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.63 -87.83 1.51 Allowed Glycine 0 C--N 1.344 1.01 0 N-CA-C 110.12 -1.192 . . . . 63.14 110.12 -169.444 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -165.03 16.5 0.05 OUTLIER 'General case' 0 N--CA 1.487 1.389 0 C-N-CA 123.29 0.636 . . . . 60.24 110.249 177.728 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -69.41 -48.44 61.06 Favored 'General case' 0 N--CA 1.476 0.854 0 CA-C-O 121.391 0.615 . . . . 74.12 109.43 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -103.54 123.39 46.84 Favored 'General case' 0 N--CA 1.473 0.691 0 N-CA-C 107.064 -1.458 . . . . 62.42 107.064 164.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -69.06 148.3 50.25 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.226 -0.657 . . . . 74.41 109.226 178.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -56.68 123.51 15.18 Favored 'General case' 0 CA--C 1.55 0.948 0 C-N-CA 123.693 0.797 . . . . 71.21 110.196 -175.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 2.9 t -131.96 107.83 8.96 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.354 0.662 . . . . 64.23 110.085 -175.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -87.04 138.5 31.44 Favored 'General case' 0 C--O 1.236 0.362 0 CA-C-N 115.347 -0.842 . . . . 71.33 109.189 172.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 90.0 m-85 -104.84 124.86 50.18 Favored 'General case' 0 C--O 1.234 0.261 0 N-CA-C 107.698 -1.223 . . . . 74.23 107.698 178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -77.08 99.6 5.4 Favored 'General case' 0 N--CA 1.472 0.65 0 N-CA-C 109.105 -0.702 . . . . 72.3 109.105 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.671 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.3 pp -132.19 144.3 50.56 Favored 'General case' 0 C--O 1.241 0.614 0 N-CA-C 109.584 -0.524 . . . . 71.21 109.584 178.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 83.8 m-85 -123.8 153.51 40.88 Favored 'General case' 0 C--O 1.241 0.634 0 C-N-CA 123.869 0.867 . . . . 61.35 108.933 -179.392 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.518 ' HB2' HD22 ' A' ' 6' ' ' LEU . 67.5 m-85 -98.32 169.41 9.58 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 123.449 0.7 . . . . 65.12 110.129 179.41 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 39.5 t -140.76 -71.97 0.36 Allowed 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.716 -0.675 . . . . 73.35 109.221 179.495 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 66.4 mttm -130.17 -74.29 0.55 Allowed 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 122.966 0.506 . . . . 64.34 109.701 179.092 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -160.97 -50.34 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.028 0 C-N-CA 122.399 0.28 . . . . 71.23 111.656 -176.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 37.9 tt0 -67.11 -45.66 76.53 Favored 'General case' 0 N--CA 1.487 1.413 0 C-N-CA 123.07 0.548 . . . . 42.42 110.618 -175.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.1 mp0 -59.85 -47.28 86.36 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 115.293 -0.867 . . . . 72.13 109.161 176.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.9 -37.37 76.47 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-N 114.774 -1.103 . . . . 61.54 111.413 178.106 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.405 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 65.1 tttp -66.7 -28.49 68.48 Favored 'General case' 0 N--CA 1.48 1.025 0 C-N-CA 124.148 0.979 . . . . 70.51 111.533 -178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -68.93 -49.82 54.71 Favored 'General case' 0 CA--C 1.552 1.02 0 N-CA-C 109.108 -0.701 . . . . 72.01 109.108 174.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.471 ' O ' HG23 ' A' ' 40' ' ' VAL . 3.9 mm? -57.4 -37.68 73.08 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 123.365 0.666 . . . . 73.41 111.289 175.306 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.405 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 7.7 tt -55.45 -48.79 73.92 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.422 1.489 . . . . 71.31 110.999 178.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.478 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 64.0 tttp -62.79 -46.03 89.88 Favored 'General case' 0 C--O 1.212 -0.916 0 O-C-N 124.171 0.919 . . . . 71.12 109.811 179.122 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.2 mmtp -63.41 -32.39 73.82 Favored 'General case' 0 N--CA 1.479 1.021 0 N-CA-C 112.832 0.679 . . . . 73.41 112.832 -175.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.471 HG23 ' O ' ' A' ' 36' ' ' LEU . 60.5 t -68.76 -44.86 81.84 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.096 0 N-CA-C 109.506 -0.553 . . . . 72.52 109.506 172.262 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -63.26 -34.01 76.74 Favored 'General case' 0 N--CA 1.478 0.967 0 C-N-CA 123.641 0.776 . . . . 64.01 112.105 179.201 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.478 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 34.8 mm-40 -67.53 -51.8 46.51 Favored 'General case' 0 C--N 1.353 0.75 0 C-N-CA 123.299 0.64 . . . . 62.52 109.726 179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.538 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.6 mmtt -70.15 -33.75 72.17 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.042 -0.981 . . . . 64.3 111.841 -176.382 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -68.63 -45.51 71.66 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 123.286 0.634 . . . . 30.14 110.295 178.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.686 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -62.99 -31.97 73.22 Favored 'General case' 0 CA--C 1.55 0.972 0 C-N-CA 123.217 0.607 . . . . 63.24 111.148 176.045 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -68.42 -41.72 79.97 Favored 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 124.351 1.06 . . . . 51.01 110.621 176.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 74.9 mmtt -59.12 -41.02 87.21 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 123.836 0.71 . . . . 73.32 110.752 178.691 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.7 HD13 HD11 ' A' ' 88' ' ' LEU . 23.9 mt -64.62 -33.99 66.86 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.826 0 O-C-N 124.561 1.163 . . . . 74.45 110.849 -179.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -73.66 -28.88 62.0 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 111.635 0.235 . . . . 75.45 111.635 -178.644 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.2 mptt -76.2 -47.03 25.54 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-O 121.039 0.447 . . . . 72.31 110.208 171.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.2 tp60 -152.2 125.28 8.61 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.577 1.151 . . . . 74.22 108.804 -175.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . -61.76 92.24 0.07 OUTLIER Glycine 0 C--N 1.347 1.172 0 N-CA-C 112.228 -0.349 . . . . 72.45 112.228 177.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.416 ' HB3' ' HB3' ' A' ' 14' ' ' CYS . 21.4 p -76.39 90.08 3.22 Favored 'General case' 0 C--N 1.349 0.572 0 N-CA-C 108.397 -0.964 . . . . 72.24 108.397 174.261 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -73.92 -11.0 60.22 Favored 'General case' 0 C--N 1.354 0.778 0 CA-C-N 114.727 -1.124 . . . . 73.53 111.675 -174.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 78.6 ttt180 -132.46 119.03 20.06 Favored 'General case' 0 C--O 1.218 -0.595 0 N-CA-C 108.25 -1.019 . . . . 74.22 108.25 171.12 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 71.1 t -109.93 146.08 15.71 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 N-CA-C 107.151 -1.426 . . . . 71.14 107.151 174.435 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mtpm? -135.98 134.85 39.02 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 108.673 -0.862 . . . . 61.14 108.673 -176.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.433 HG23 HD13 ' A' ' 10' ' ' ILE . 78.7 mt -139.94 126.56 22.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 0 N-CA-C 106.445 -1.687 . . . . 72.51 106.445 177.401 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 11.2 ptm85 -133.01 153.55 51.38 Favored 'General case' 0 N--CA 1.477 0.924 0 N-CA-C 109.254 -0.647 . . . . 72.2 109.254 175.237 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.435 ' HZ ' HD23 ' A' ' 6' ' ' LEU . 50.0 t80 -159.32 141.88 13.93 Favored 'General case' 0 C--O 1.222 -0.353 0 N-CA-C 108.744 -0.835 . . . . 72.14 108.744 -168.61 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -67.24 122.88 18.83 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 122.755 0.422 . . . . 65.42 111.005 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.593 ' HE3' ' HA ' ' A' ' 98' ' ' ASP . 0.0 OUTLIER -111.27 64.44 0.61 Allowed 'General case' 0 CA--C 1.548 0.872 0 C-N-CA 123.527 0.731 . . . . 63.43 109.038 -179.208 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.9 ttmp? -172.7 143.54 1.29 Allowed 'General case' 0 N--CA 1.482 1.135 0 C-N-CA 124.056 0.943 . . . . 73.13 108.939 176.603 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 73.8 15.23 79.58 Favored Glycine 0 C--N 1.346 1.135 0 O-C-N 123.424 0.452 . . . . 74.43 113.242 -179.001 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 24.9 mt -84.34 -78.18 0.25 Allowed 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.481 0.712 . . . . 71.12 109.115 179.144 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 29.3 t70 157.25 161.47 0.01 OUTLIER 'General case' 0 N--CA 1.485 1.316 0 C-N-CA 126.916 2.087 . . . . 55.33 106.328 -173.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -70.3 -39.29 74.94 Favored 'General case' 0 N--CA 1.484 1.271 0 CA-C-N 118.279 0.491 . . . . 64.45 110.855 179.142 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 26.7 t70 -72.08 -47.44 51.43 Favored 'General case' 0 N--CA 1.481 1.079 0 C-N-CA 122.678 0.391 . . . . 51.22 110.092 176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.93 -29.93 69.9 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.753 0.821 . . . . 63.55 112.742 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.57 ' HG2' ' HD3' ' A' ' 62' ' ' LYS . 0.5 OUTLIER -57.89 -51.16 70.75 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.429 1.092 . . . . 70.33 109.917 175.622 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -74.88 -31.89 61.71 Favored 'General case' 0 CA--C 1.541 0.633 0 CA-C-N 114.83 -1.077 . . . . 65.33 111.258 -177.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm -64.0 -47.21 81.22 Favored 'General case' 0 N--CA 1.478 0.927 0 C-N-CA 122.971 0.508 . . . . 74.31 110.591 176.271 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.44 -32.64 66.46 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.871 0.868 . . . . 70.22 111.278 -178.671 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -61.52 -56.23 22.26 Favored 'General case' 0 C--N 1.351 0.638 0 O-C-N 123.874 0.734 . . . . 64.01 109.91 173.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.429 ' HA ' HD12 ' A' ' 78' ' ' LEU . 87.9 tttt -64.91 -34.34 78.18 Favored 'General case' 0 C--O 1.215 -0.743 0 O-C-N 124.062 0.851 . . . . 73.5 110.039 -176.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 87.9 t90 -57.49 -53.93 52.56 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 123.943 0.897 . . . . 65.01 110.205 177.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.94 -31.18 71.95 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 115.479 -0.782 . . . . 73.31 111.793 -178.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.429 HD12 ' HA ' ' A' ' 75' ' ' LYS . 96.9 mt -66.78 -47.41 72.24 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.551 0.741 . . . . 74.44 110.315 174.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mm-40 -63.11 -46.21 88.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.115 0.966 . . . . 74.44 110.545 -178.513 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.4 t -60.26 -47.36 92.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 C-N-CA 123.681 0.792 . . . . 51.12 110.634 177.274 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.477 ' HB2' HG11 ' A' ' 104' ' ' VAL . . . -56.59 -47.04 80.42 Favored 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 123.879 0.872 . . . . 73.13 111.483 178.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -71.45 -28.72 64.16 Favored 'General case' 0 C--O 1.212 -0.91 0 CA-C-N 114.81 -1.086 . . . . 74.12 110.968 179.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.513 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 58.3 mmtt -63.81 -53.71 46.45 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 109.809 -0.441 . . . . 70.2 109.809 176.483 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.563 HG22 HD11 ' A' ' 108' ' ' LEU . 46.9 mt -59.91 -37.52 72.43 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 C-N-CA 124.204 1.002 . . . . 73.22 109.976 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -72.71 -35.17 67.53 Favored 'General case' 0 CA--C 1.55 0.96 0 C-N-CA 124.326 1.051 . . . . 74.33 112.687 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -76.82 -40.96 46.14 Favored 'General case' 0 N--CA 1.488 1.468 0 C-N-CA 123.62 0.768 . . . . 73.31 111.817 -177.229 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.1 mm-40 -59.64 -29.31 67.93 Favored 'General case' 0 N--CA 1.489 1.496 0 C-N-CA 123.108 0.563 . . . . 63.4 111.324 -178.245 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.7 HD11 HD13 ' A' ' 48' ' ' ILE . 30.0 mt -94.84 -41.0 9.44 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.424 -0.807 . . . . 71.52 110.375 176.576 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 76.15 42.18 24.74 Favored Glycine 0 C--N 1.339 0.722 0 CA-C-N 115.461 -0.791 . . . . 73.43 111.473 -171.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -79.65 -74.22 0.31 Allowed 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 123.146 0.578 . . . . 75.12 111.062 -175.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.2 ptmt -177.36 -169.07 0.22 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.857 1.263 . . . . 72.12 108.994 -175.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 17.2 tp60 -89.66 156.73 18.37 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 123.267 0.627 . . . . 72.04 111.044 -176.135 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.482 ' HB3' HG13 ' A' ' 106' ' ' VAL . 12.9 p -102.51 144.17 31.29 Favored 'General case' 0 CA--C 1.543 0.681 0 C-N-CA 125.006 1.322 . . . . 65.32 111.154 -176.721 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 17.7 m -93.45 116.12 28.65 Favored 'General case' 0 N--CA 1.469 0.521 0 C-N-CA 124.313 1.045 . . . . 74.32 108.445 -179.171 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.46 HG22 HG13 ' A' ' 104' ' ' VAL . 78.6 p -106.37 118.46 36.72 Favored 'General case' 0 CA--C 1.542 0.637 0 C-N-CA 123.724 0.809 . . . . 74.1 110.63 -173.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 19.2 m -81.36 111.19 17.51 Favored 'General case' 0 CA--C 1.541 0.603 0 N-CA-C 106.924 -1.51 . . . . 71.51 106.924 165.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 8.8 t -102.1 153.63 19.74 Favored 'General case' 0 C--O 1.241 0.616 0 C-N-CA 123.275 0.63 . . . . 55.22 110.944 -172.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.593 ' HA ' ' HE3' ' A' ' 62' ' ' LYS . 3.0 t70 61.52 -140.85 0.48 Allowed 'General case' 0 CA--C 1.562 1.425 0 C-N-CA 124.639 1.176 . . . . 64.31 111.031 176.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 70.25 -158.05 53.53 Favored Glycine 0 C--N 1.362 1.981 0 CA-C-N 118.267 0.485 . . . . 52.44 112.708 -177.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -77.33 -26.47 52.15 Favored 'General case' 0 N--CA 1.474 0.744 0 C-N-CA 123.69 0.796 . . . . 74.33 110.474 173.598 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 7.7 p -144.56 125.6 14.5 Favored 'General case' 0 CA--C 1.549 0.911 0 C-N-CA 123.68 0.792 . . . . 55.42 111.234 -177.364 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 28.8 t80 -76.89 119.6 20.87 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 107.734 -1.21 . . . . 75.13 107.734 170.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 50.7 tt0 -134.13 112.14 10.89 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 123.506 0.722 . . . . 74.4 110.413 -169.659 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.477 HG11 ' HB2' ' A' ' 81' ' ' ALA . 55.8 t -103.32 123.99 57.2 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.17 0 C-N-CA 123.399 0.68 . . . . 45.21 111.96 177.406 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -97.28 117.86 32.45 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.179 0.992 . . . . 75.33 108.529 165.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.659 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 6.3 t -97.79 104.43 15.91 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 N-CA-C 107.369 -1.345 . . . . 75.41 107.369 174.855 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.1 mm -91.32 99.98 10.5 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 108.25 -1.019 . . . . 72.52 108.25 -177.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.563 HD11 HG22 ' A' ' 84' ' ' ILE . 70.1 mt -101.7 104.3 15.11 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.56 0.744 . . . . 73.41 111.362 -177.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 61.6 mt-10 -94.25 96.02 9.31 Favored 'General case' 0 N--CA 1.473 0.704 0 N-CA-C 109.343 -0.614 . . . . 62.41 109.343 176.076 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.51 HD11 ' HB3' ' A' ' 88' ' ' LEU . 2.5 mm? -94.47 19.37 9.78 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 123.173 0.589 . . . . 62.11 110.696 177.304 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -64.87 -26.82 68.49 Favored 'General case' 0 CA--C 1.551 1.006 0 C-N-CA 123.154 0.582 . . . . 72.53 109.86 171.004 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 35.5 m80 70.58 17.53 6.68 Favored 'General case' 0 N--CA 1.488 1.439 0 C-N-CA 125.431 1.493 . . . . 71.23 112.482 173.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 11.8 m170 -100.19 98.81 9.46 Favored 'General case' 0 N--CA 1.477 0.904 0 C-N-CA 123.952 0.901 . . . . 65.22 108.661 176.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 34.7 m-70 -70.15 117.12 11.31 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 123.845 0.858 . . . . 72.24 110.212 -178.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -131.5 95.69 3.81 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.108 0.48 . . . . 55.11 110.184 178.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 54.4 m80 -101.57 134.26 44.97 Favored 'General case' 0 C--O 1.239 0.52 0 N-CA-C 107.112 -1.44 . . . . 74.52 107.112 165.213 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 35.9 t-80 . . . . . 0 CA--C 1.562 1.435 0 C-N-CA 124.431 1.092 . . . . 73.33 109.799 -172.005 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 45.4 ttm . . . . . 0 N--CA 1.479 0.997 0 N-CA-C 109.536 -0.542 . . . . 74.41 109.536 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 65.12 167.52 0.18 Allowed 'General case' 0 N--CA 1.488 1.441 0 C-N-CA 124.675 1.19 . . . . 62.22 112.504 -178.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 84.89 -34.58 3.17 Favored Glycine 0 C--N 1.353 1.499 0 CA-C-N 116.399 -0.364 . . . . 62.54 112.729 -179.616 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 23.0 ttpp -67.47 82.34 0.16 Allowed 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 124.957 1.303 . . . . 74.35 109.571 174.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -169.02 54.19 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 123.937 0.895 . . . . 72.24 109.437 -179.18 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.602 HD21 ' HB1' ' A' ' 69' ' ' ALA . 7.1 mp -64.81 100.12 0.38 Allowed 'General case' 0 N--CA 1.477 0.913 0 CA-C-N 115.642 -0.708 . . . . 54.42 109.438 179.705 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.2 ptp85 -77.38 132.18 38.41 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 123.649 0.593 . . . . 73.01 109.457 -175.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.626 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 4.3 t -126.46 117.96 49.78 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 N-CA-C 107.864 -1.162 . . . . 71.24 107.864 -177.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -107.42 99.77 9.26 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 109.013 -0.736 . . . . 72.14 109.013 -179.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.53 ' HB ' ' HB2' ' A' ' 23' ' ' TYR . 43.2 mm -92.61 116.11 33.0 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.391 0 N-CA-C 108.767 -0.827 . . . . 75.1 108.767 -179.3 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 57' ' ' LYS . 5.8 mmpt? -91.76 122.0 33.91 Favored 'General case' 0 N--CA 1.465 0.306 0 N-CA-C 108.425 -0.954 . . . . 62.05 108.425 178.654 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.594 ' HB ' ' HB ' ' A' ' 21' ' ' THR . 48.9 mm -95.12 110.18 23.58 Favored 'Isoleucine or valine' 0 C--O 1.243 0.754 0 N-CA-C 106.692 -1.596 . . . . 74.35 106.692 169.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.48 ' HB3' ' HB2' ' A' ' 55' ' ' ARG . 12.3 t70 -95.32 98.07 10.31 Favored 'General case' 0 C--O 1.237 0.415 0 N-CA-C 107.001 -1.481 . . . . 71.21 107.001 -176.423 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' SG ' ' SG ' ' A' ' 53' ' ' CYS . 22.6 t -110.89 -58.74 2.06 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 115.068 -0.969 . . . . 75.21 111.201 -167.006 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 166.32 156.28 9.4 Favored Glycine 0 C--N 1.334 0.455 0 N-CA-C 110.058 -1.217 . . . . 72.54 110.058 -175.055 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.535 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 32.0 m-80 64.12 102.94 0.03 OUTLIER 'General case' 0 N--CA 1.479 0.991 0 C-N-CA 124.389 1.076 . . . . 72.53 108.689 -168.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.4 t70 -64.16 -24.57 67.73 Favored 'General case' 0 N--CA 1.479 0.979 0 C-N-CA 123.744 0.818 . . . . 63.43 111.362 -176.65 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -66.25 -48.83 69.23 Favored 'General case' 0 N--CA 1.475 0.8 0 C-N-CA 124.085 0.954 . . . . 54.52 109.62 170.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 56.6 tttm -87.39 72.12 9.81 Favored 'General case' 0 CA--C 1.551 0.995 0 CA-C-O 122.412 1.101 . . . . 71.41 110.222 -175.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -77.96 152.35 33.2 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 114.084 -1.416 . . . . 73.35 109.449 171.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.594 ' HB ' ' HB ' ' A' ' 12' ' ' ILE . 15.9 m -125.65 134.17 51.95 Favored 'General case' 0 N--CA 1.476 0.832 0 N-CA-C 108.158 -1.053 . . . . 72.32 108.158 179.096 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.7 m -134.87 143.88 47.23 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 122.812 0.445 . . . . 64.45 110.335 -179.189 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.53 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 52.5 m-85 -114.78 126.42 54.82 Favored 'General case' 0 N--CA 1.461 0.118 0 C-N-CA 123.474 0.71 . . . . 64.45 109.104 170.32 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -104.67 110.95 23.47 Favored 'General case' 0 C--O 1.238 0.499 0 N-CA-C 108.228 -1.027 . . . . 72.01 108.228 176.427 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.626 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.8 OUTLIER -135.77 158.25 44.85 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 123.74 0.816 . . . . 71.31 109.129 179.805 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.459 ' HA ' ' O ' ' A' ' 6' ' ' LEU . 97.0 m-85 -127.8 136.69 51.81 Favored 'General case' 0 C--O 1.243 0.723 0 C-N-CA 123.253 0.621 . . . . 64.42 109.585 -176.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.431 ' HB2' ' HB2' ' A' ' 6' ' ' LEU . 20.1 m-85 -81.73 76.38 8.64 Favored 'General case' 0 C--O 1.242 0.669 0 N-CA-C 108.066 -1.086 . . . . 62.45 108.066 166.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.506 ' HB3' ' HG3' ' A' ' 32' ' ' GLU . 36.2 t -66.18 -42.84 88.34 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 114.908 -1.042 . . . . 71.11 108.821 174.2 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.417 ' HB2' ' HG2' ' A' ' 32' ' ' GLU . 62.1 mttm -140.6 169.76 17.04 Favored 'General case' 0 C--O 1.24 0.599 0 C-N-CA 123.841 0.857 . . . . 62.45 109.079 170.223 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -69.92 -36.22 75.19 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.518 -0.764 . . . . 70.42 109.575 170.249 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 41.5 tt0 -53.41 -51.1 63.68 Favored 'General case' 0 C--N 1.354 0.797 0 C-N-CA 124.911 1.284 . . . . 72.35 110.307 171.22 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.506 ' HG3' ' HB3' ' A' ' 28' ' ' SER . 20.8 mm-40 -58.41 -48.86 79.31 Favored 'General case' 0 C--N 1.349 0.554 0 O-C-N 124.223 0.952 . . . . 72.35 110.554 175.659 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -56.05 -29.0 59.82 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.942 0.897 . . . . 54.1 112.831 -175.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.6 ttmp? -67.41 -39.69 85.52 Favored 'General case' 0 N--CA 1.478 0.957 0 CA-C-O 121.037 0.446 . . . . 74.33 110.74 179.553 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.433 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 1.3 mp0 -71.87 -43.19 65.85 Favored 'General case' 0 N--CA 1.471 0.586 0 CA-C-N 115.496 -0.775 . . . . 65.31 110.599 176.131 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -62.38 -31.54 72.21 Favored 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 123.622 0.769 . . . . 74.05 111.857 178.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.421 ' HG ' HG22 ' A' ' 80' ' ' VAL . 5.6 tt -57.18 -48.77 77.91 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.026 0.93 . . . . 73.34 110.026 172.377 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.502 ' O ' ' HG2' ' A' ' 42' ' ' GLU . 41.8 tttm -71.62 -37.28 70.93 Favored 'General case' 0 C--O 1.219 -0.546 0 O-C-N 124.219 0.949 . . . . 71.14 110.411 -177.258 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.433 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 74.6 mmtt -61.35 -51.42 68.91 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 122.965 0.506 . . . . 54.44 110.91 -177.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 90.5 t -59.47 -41.8 85.79 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 O-C-N 123.793 0.683 . . . . 73.12 109.664 175.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.82 84.54 Favored 'General case' 0 CA--C 1.552 1.04 0 N-CA-C 113.041 0.756 . . . . 42.24 113.041 179.635 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.502 ' HG2' ' O ' ' A' ' 38' ' ' LYS . 51.5 mm-40 -73.93 -54.33 8.17 Favored 'General case' 0 N--CA 1.483 1.214 0 CA-C-O 120.958 0.408 . . . . 74.43 110.742 -178.581 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt -68.91 -38.56 79.64 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 115.338 -0.846 . . . . 64.11 111.371 -171.286 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.419 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -66.5 -46.67 75.48 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 122.832 0.453 . . . . 53.14 110.309 178.272 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -61.57 -30.0 70.38 Favored 'General case' 0 N--CA 1.48 1.056 0 O-C-N 123.994 0.809 . . . . 54.14 111.595 179.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -70.41 -36.61 74.14 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 123.529 0.731 . . . . 71.02 110.766 176.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.492 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.2 OUTLIER -67.16 -31.34 71.69 Favored 'General case' 0 N--CA 1.48 1.033 0 C-N-CA 122.736 0.414 . . . . 64.43 110.369 175.206 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.672 HD13 ' HB2' ' A' ' 53' ' ' CYS . 27.0 mm -66.21 -41.86 90.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 121.283 0.563 . . . . 73.3 109.515 175.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -62.98 -47.92 81.1 Favored 'General case' 0 CA--C 1.547 0.846 0 CA-C-N 114.349 -1.296 . . . . 63.51 110.208 -175.315 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 1.3 mptm? -81.85 -51.56 7.99 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 122.999 0.52 . . . . 74.22 111.361 -177.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.419 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 15.5 mm100 -120.82 10.1 10.84 Favored 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 113.685 0.995 . . . . 65.13 113.685 -159.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 80.37 -70.06 3.04 Favored Glycine 0 N--CA 1.474 1.177 0 CA-C-O 119.777 -0.457 . . . . 62.23 112.667 177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.672 ' HB2' HD13 ' A' ' 48' ' ' ILE . 49.0 m 53.54 65.26 1.57 Allowed 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 124.859 1.264 . . . . 70.15 111.735 172.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 54.5 mtpt -70.65 -12.98 61.9 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 113.686 0.995 . . . . 73.52 113.686 -167.429 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' HB3' ' A' ' 13' ' ' ASP . 2.6 mpt_? -123.85 137.09 54.71 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 107.923 -1.14 . . . . 74.2 107.923 172.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.515 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 98.2 t -129.76 113.75 28.13 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.367 0 N-CA-C 106.761 -1.57 . . . . 64.32 106.761 168.674 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.822 ' HB2' ' HB2' ' A' ' 11' ' ' LYS . 51.3 mttp -97.12 126.33 42.22 Favored 'General case' 0 C--N 1.328 -0.366 0 N-CA-C 109.35 -0.611 . . . . 74.13 109.35 -174.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 82.7 mt -102.44 113.46 39.06 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.629 0 N-CA-C 106.46 -1.682 . . . . 62.34 106.46 169.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -119.82 134.92 55.07 Favored 'General case' 0 C--O 1.241 0.612 0 N-CA-C 108.767 -0.827 . . . . 63.1 108.767 175.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -160.11 137.9 9.85 Favored 'General case' 0 CA--C 1.539 0.52 0 N-CA-C 107.617 -1.253 . . . . 72.31 107.617 -171.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -102.47 153.28 20.2 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 122.834 0.454 . . . . 74.54 110.14 179.046 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.522 ' HG2' HD11 ' A' ' 65' ' ' LEU . 9.7 mtmp? -127.28 -148.59 0.39 Allowed 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 123.856 0.862 . . . . 74.11 108.802 174.252 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.5 mmtp 65.85 26.31 11.16 Favored 'General case' 0 C--N 1.366 1.3 0 C-N-CA 124.128 0.971 . . . . 60.11 110.454 -176.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 175.89 19.63 0.02 OUTLIER Glycine 0 C--N 1.352 1.433 0 CA-C-O 119.129 -0.817 . . . . 33.4 113.923 -179.722 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD11 ' HG2' ' A' ' 62' ' ' LYS . 62.9 mt -76.9 -75.54 0.2 Allowed 'General case' 0 N--CA 1.484 1.229 0 CA-C-N 118.235 1.017 . . . . 71.44 110.678 178.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.49 ' HB3' ' HB3' ' A' ' 69' ' ' ALA . 16.8 t70 155.67 145.12 0.0 OUTLIER 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 127.285 2.234 . . . . 63.23 105.544 -170.754 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -54.78 -45.27 74.25 Favored 'General case' 0 N--CA 1.491 1.578 0 C-N-CA 123.379 0.672 . . . . 75.54 111.959 -174.111 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -78.13 -38.94 42.72 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 124.496 1.118 . . . . 75.32 111.134 -179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.602 ' HB1' HD21 ' A' ' 6' ' ' LEU . . . -65.22 -30.11 70.98 Favored 'General case' 0 N--CA 1.479 1.02 0 C-N-CA 123.324 0.65 . . . . 44.31 112.203 -179.438 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 49.8 ttt180 -62.45 -46.85 86.63 Favored 'General case' 0 N--CA 1.467 0.404 0 C-N-CA 124.18 0.992 . . . . 73.24 110.911 177.406 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 86.5 tttt -66.04 -43.71 86.73 Favored 'General case' 0 N--CA 1.474 0.748 0 O-C-N 124.023 0.827 . . . . 71.12 111.36 -174.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -73.74 -30.98 63.12 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 116.039 -0.528 . . . . 71.42 111.471 -177.079 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -70.24 -38.95 75.3 Favored 'General case' 0 N--CA 1.483 1.205 0 C-N-CA 123.551 0.74 . . . . 72.14 110.627 174.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 13.1 tmtt? -60.51 -52.06 66.8 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.673 1.189 . . . . 73.34 109.673 175.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 49.2 tttm -59.38 -43.08 92.97 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 125.324 1.45 . . . . 70.14 110.871 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 86.7 t90 -58.54 -58.05 10.24 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.83 1.252 . . . . 61.35 112.192 -172.136 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -65.19 -30.14 71.02 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 123.2 0.6 . . . . 60.15 112.094 -171.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 89.5 mt -65.01 -46.03 83.07 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 123.962 0.788 . . . . 71.01 110.306 175.293 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.506 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 51.5 mt-10 -63.49 -49.01 75.27 Favored 'General case' 0 N--CA 1.475 0.793 0 CA-C-N 115.249 -0.887 . . . . 70.44 110.583 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.421 HG22 ' HG ' ' A' ' 37' ' ' LEU . 90.2 t -57.69 -46.67 86.66 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.107 0 O-C-N 124.598 1.186 . . . . 62.41 111.276 178.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.76 -51.54 68.49 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.013 0.925 . . . . 63.32 111.592 -178.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 61.0 m-80 -75.62 -25.54 57.0 Favored 'General case' 0 CA--C 1.542 0.673 0 CA-C-N 114.781 -1.099 . . . . 53.2 111.69 -179.59 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.9 tmtt? -65.34 -51.76 58.38 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.903 -0.777 . . . . 61.12 108.903 -177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 64.7 mt -62.78 -43.98 99.17 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.841 0 O-C-N 124.334 1.021 . . . . 64.41 109.762 178.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -59.59 -35.64 74.7 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.397 0.679 . . . . 74.35 111.801 178.226 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.7 t-20 -77.61 -37.53 50.09 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 123.653 0.781 . . . . 52.45 110.843 -177.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 54.6 mm-40 -58.17 -43.02 87.22 Favored 'General case' 0 N--CA 1.483 1.213 0 O-C-N 123.655 0.597 . . . . 61.51 110.83 177.227 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.626 HD13 HG21 ' A' ' 48' ' ' ILE . 22.1 mt -88.47 -32.38 18.28 Favored 'General case' 0 N--CA 1.467 0.39 0 CA-C-N 115.032 -0.986 . . . . 71.51 111.299 -173.686 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.95 52.36 8.09 Favored Glycine 0 C--N 1.348 1.233 0 N-CA-C 110.425 -1.07 . . . . 60.14 110.425 -170.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -118.8 179.3 4.18 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 123.919 0.888 . . . . 53.31 111.322 -170.545 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.566 ' HB3' ' H ' ' A' ' 109' ' ' GLU . 24.7 tptm -57.01 150.19 17.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.677 1.191 . . . . 74.14 110.436 175.692 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -84.37 174.14 10.35 Favored 'General case' 0 N--CA 1.478 0.958 0 CA-C-O 122.027 0.918 . . . . 75.01 112.62 -170.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 11.6 m -96.45 149.24 21.95 Favored 'General case' 0 C--O 1.237 0.405 0 CA-C-N 114.195 -1.366 . . . . 62.23 110.719 -177.685 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.1 t -100.85 144.37 29.89 Favored 'General case' 0 CA--C 1.546 0.804 0 N-CA-C 108.248 -1.019 . . . . 62.21 108.248 163.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 7.1 t -133.22 139.05 46.76 Favored 'General case' 0 N--CA 1.471 0.576 0 C-N-CA 123.164 0.585 . . . . 74.45 110.901 -176.464 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -134.95 112.18 10.42 Favored 'General case' 0 C--O 1.24 0.558 0 C-N-CA 124.114 0.966 . . . . 64.24 109.634 -178.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 4.5 t -97.79 103.4 15.33 Favored 'General case' 0 CA--C 1.543 0.694 0 N-CA-C 108.36 -0.978 . . . . 63.42 108.36 167.25 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -88.49 160.67 17.4 Favored 'General case' 0 N--CA 1.479 1.021 0 CA-C-N 115.444 -0.798 . . . . 73.21 109.024 178.088 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -53.54 -45.75 66.68 Favored Glycine 0 C--N 1.353 1.513 0 O-C-N 123.192 0.308 . . . . 53.53 112.493 177.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -92.25 -67.99 0.82 Allowed 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 123.282 0.633 . . . . 74.24 110.315 176.353 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 2.7 m -84.26 168.38 15.74 Favored 'General case' 0 CA--C 1.556 1.183 0 C-N-CA 123.749 0.819 . . . . 71.42 111.291 -170.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -142.16 108.77 5.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.703 1.201 . . . . 72.4 108.293 176.188 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -130.38 133.65 46.55 Favored 'General case' 0 N--CA 1.483 1.182 0 C-N-CA 123.331 0.652 . . . . 71.11 110.655 -177.041 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 86.7 t -132.03 107.17 12.4 Favored 'Isoleucine or valine' 0 C--N 1.343 0.293 0 N-CA-C 106.206 -1.776 . . . . 55.03 106.206 -178.439 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.2 tp10 -94.93 123.08 38.2 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 107.866 -1.161 . . . . 75.2 107.866 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG12 ' HG ' ' A' ' 108' ' ' LEU . 38.4 t -99.17 103.84 15.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 N-CA-C 106.991 -1.485 . . . . 75.41 106.991 -177.383 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 67.3 mt -88.88 96.32 6.01 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.296 0 N-CA-C 107.28 -1.378 . . . . 61.22 107.28 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.525 ' HG ' HG12 ' A' ' 106' ' ' VAL . 94.6 mt -100.11 98.99 9.64 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-O 121.275 0.559 . . . . 62.43 109.792 177.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.566 ' H ' ' HB3' ' A' ' 91' ' ' LYS . 45.4 mt-10 -99.89 111.85 24.14 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.359 -0.978 . . . . 63.01 108.359 175.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 4.4 mp -117.48 100.41 7.63 Favored 'General case' 0 CA--C 1.539 0.54 0 N-CA-C 108.821 -0.807 . . . . 73.3 108.821 172.555 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -74.79 88.39 2.27 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 106.3 -1.741 . . . . 71.3 106.3 172.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 29.3 p-80 57.73 -61.62 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.355 0 C-N-CA 127.016 2.127 . . . . 72.2 112.684 -167.633 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 63.2 t60 63.49 -87.11 0.02 OUTLIER 'General case' 0 C--N 1.36 1.027 0 C-N-CA 125.647 1.579 . . . . 72.0 109.277 176.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 62.5 t60 176.48 118.01 0.03 OUTLIER 'General case' 0 C--O 1.236 0.394 0 N-CA-C 107.437 -1.32 . . . . 73.01 107.437 177.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 18.6 m-70 -68.66 110.89 4.48 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 108.145 -1.057 . . . . 64.41 108.145 173.475 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 32.3 t-80 -62.39 95.23 0.07 Allowed 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 123.613 0.765 . . . . 71.34 111.063 -173.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.3 t-80 . . . . . 0 CA--C 1.549 0.925 0 N-CA-C 108.855 -0.794 . . . . 71.32 108.855 175.421 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 mmt . . . . . 0 N--CA 1.478 0.939 0 N-CA-C 109.442 -0.577 . . . . 62.41 109.442 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -72.44 -18.72 61.68 Favored 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 123.682 0.793 . . . . 71.23 111.948 -179.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 88.43 -112.16 3.87 Favored Glycine 0 C--N 1.348 1.231 0 N-CA-C 111.327 -0.709 . . . . 73.11 111.327 -178.323 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 pttt -164.25 2.37 0.03 OUTLIER 'General case' 0 N--CA 1.481 1.093 0 C-N-CA 123.736 0.814 . . . . 75.32 110.525 176.404 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 33.8 mt-10 -113.92 -167.54 1.22 Allowed 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 123.571 0.749 . . . . 73.52 111.492 -163.7 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.586 HD22 ' HB2' ' A' ' 27' ' ' PHE . 5.0 mp -75.07 122.28 23.32 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.411 1.084 . . . . 43.22 109.581 -172.154 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.2 mpt_? -77.29 109.41 11.17 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 108.594 -0.891 . . . . 74.22 108.594 177.553 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 1.2 m -120.83 139.44 48.06 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 108.681 -0.859 . . . . 71.02 108.681 -178.616 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.638 ' HB2' ' HB2' ' A' ' 59' ' ' ARG . 88.3 mt-10 -119.25 96.14 5.1 Favored 'General case' 0 N--CA 1.469 0.484 0 N-CA-C 107.967 -1.123 . . . . 74.23 107.967 167.181 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.482 ' O ' ' HA ' ' A' ' 22' ' ' THR . 46.7 mm -92.36 114.88 30.1 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 N-CA-C 106.348 -1.723 . . . . 64.04 106.348 173.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.471 ' HA ' ' O ' ' A' ' 21' ' ' THR . 9.9 tmtt? -122.64 141.43 51.75 Favored 'General case' 0 CA--C 1.542 0.646 0 N-CA-C 109.584 -0.524 . . . . 74.01 109.584 -162.34 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.424 HD13 HG13 ' A' ' 56' ' ' VAL . 40.3 mm -114.47 131.5 66.36 Favored 'Isoleucine or valine' 0 C--O 1.244 0.773 0 C-N-CA 123.95 0.9 . . . . 65.53 109.351 177.451 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -124.9 107.26 10.69 Favored 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 123.714 0.806 . . . . 70.1 109.122 172.122 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.522 ' HG ' ' HG ' ' A' ' 53' ' ' CYS . 60.2 m -92.13 -5.57 52.46 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.673 0.789 . . . . 75.34 112.861 -172.392 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 150.4 -95.76 0.16 Allowed Glycine 0 C--N 1.352 1.435 0 N-CA-C 112.289 -0.324 . . . . 74.13 112.289 178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -138.06 41.75 2.27 Favored 'General case' 0 N--CA 1.485 1.276 0 CA-C-O 122.675 1.226 . . . . 75.14 108.402 178.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -78.32 -30.25 48.14 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 113.795 -1.548 . . . . 62.14 110.683 -176.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 64.53 10.62 5.97 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 125.273 1.429 . . . . 73.34 111.958 -173.107 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.581 ' HE2' ' HA ' ' A' ' 19' ' ' LYS . 9.8 mmpt? -86.69 90.26 8.21 Favored 'General case' 0 C--O 1.238 0.475 0 N-CA-C 108.585 -0.894 . . . . 50.23 108.585 178.621 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 13.9 mm-40 -66.59 113.58 4.88 Favored 'General case' 0 C--O 1.235 0.32 0 N-CA-C 108.071 -1.085 . . . . 62.43 108.071 175.699 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.471 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 39.2 m -119.36 103.33 9.38 Favored 'General case' 0 CA--C 1.518 -0.253 0 N-CA-C 108.271 -1.011 . . . . 71.42 108.271 -177.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.482 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 15.7 p -109.57 145.91 35.56 Favored 'General case' 0 C--O 1.24 0.593 0 N-CA-C 108.37 -0.974 . . . . 72.34 108.37 172.02 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 86.8 m-85 -102.68 133.85 47.02 Favored 'General case' 0 C--O 1.241 0.645 0 N-CA-C 107.395 -1.335 . . . . 74.12 107.395 178.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 m-20 -89.13 100.83 13.53 Favored 'General case' 0 N--CA 1.47 0.544 0 N-CA-C 108.986 -0.746 . . . . 52.44 108.986 177.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.424 HD12 ' HB3' ' A' ' 36' ' ' LEU . 1.9 pt? -144.9 154.77 42.97 Favored 'General case' 0 N--CA 1.465 0.318 0 N-CA-C 109.209 -0.663 . . . . 74.32 109.209 175.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -134.67 121.55 20.99 Favored 'General case' 0 C--N 1.323 -0.568 0 N-CA-C 106.781 -1.563 . . . . 72.31 106.781 -178.685 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.586 ' HB2' HD22 ' A' ' 6' ' ' LEU . 8.8 m-85 -76.01 118.9 19.25 Favored 'General case' 0 C--N 1.346 0.415 0 O-C-N 123.282 0.364 . . . . 53.41 110.503 -171.416 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.9 m -75.31 178.09 6.09 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 108.562 -0.903 . . . . 74.14 108.562 161.44 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 37.7 ttpt -58.6 86.4 0.01 OUTLIER 'General case' 0 CA--C 1.564 1.509 0 C-N-CA 124.769 1.228 . . . . 74.34 114.25 -172.078 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . 51.09 -76.53 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 126.711 2.005 . . . . 75.4 114.963 168.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -67.11 -29.91 69.79 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.254 0.622 . . . . 63.32 110.752 177.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.9 mm-40 -73.16 -30.42 63.57 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 123.651 0.78 . . . . 72.44 110.826 174.056 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.37 -23.13 61.07 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 123.977 0.911 . . . . 33.15 112.022 176.302 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.45 ' HD2' HD13 ' A' ' 37' ' ' LEU . 31.1 mmmt -53.72 -28.3 33.27 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 114.124 1.157 . . . . 70.04 114.124 -178.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 4.8 tm-20 -62.17 -48.61 79.31 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.176 0.591 . . . . 71.35 109.814 175.111 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.424 ' HB3' HD12 ' A' ' 25' ' ' LEU . 3.2 mm? -65.59 -34.53 78.46 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 114.889 -1.05 . . . . 62.11 110.721 178.255 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.458 HD11 ' HB2' ' A' ' 79' ' ' GLU . 4.2 tt -57.63 -46.22 84.42 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 124.632 1.173 . . . . 71.04 111.339 176.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.0 tttt -63.43 -51.45 65.67 Favored 'General case' 0 C--O 1.222 -0.394 0 O-C-N 124.413 1.071 . . . . 75.35 110.086 177.664 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -56.21 -42.95 78.01 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 123.901 0.88 . . . . 73.55 112.452 -176.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 70.8 t -64.11 -50.97 74.6 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.784 0 C-N-CA 122.762 0.425 . . . . 53.55 110.437 176.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.15 -30.93 71.04 Favored 'General case' 0 N--CA 1.48 1.045 0 N-CA-C 113.098 0.777 . . . . 73.04 113.098 -175.194 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.0 mm-40 -69.51 -53.07 20.87 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 123.611 0.765 . . . . 53.21 110.326 177.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -70.42 -45.87 65.04 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-N 115.066 -0.97 . . . . 70.34 111.167 -173.233 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.506 ' HA ' ' HD3' ' A' ' 47' ' ' LYS . . . -57.05 -35.95 69.93 Favored 'General case' 0 N--CA 1.48 1.042 0 O-C-N 123.959 0.787 . . . . 70.2 111.286 179.59 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.99 -34.08 69.59 Favored 'General case' 0 CA--C 1.544 0.736 0 O-C-N 124.296 0.997 . . . . 73.35 112.352 178.115 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 37.3 m-20 -74.14 -34.83 63.99 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 122.998 0.519 . . . . 75.34 112.072 178.227 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.506 ' HD3' ' HA ' ' A' ' 44' ' ' ALA . 2.6 mptp? -65.95 -40.7 91.56 Favored 'General case' 0 N--CA 1.5 2.052 0 CA-C-N 118.389 0.541 . . . . 73.12 110.36 178.408 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.571 HG12 ' HB2' ' A' ' 53' ' ' CYS . 48.8 mt -70.23 -32.25 50.06 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.048 0 C-N-CA 124.502 1.121 . . . . 71.14 110.419 -179.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.36 -28.31 66.74 Favored 'General case' 0 CA--C 1.552 1.029 0 C-N-CA 124.764 1.225 . . . . 74.22 112.847 -177.54 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 13.8 mptt -65.17 -28.6 69.51 Favored 'General case' 0 N--CA 1.491 1.584 0 C-N-CA 123.044 0.537 . . . . 74.3 112.091 178.712 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 35.7 tt0 -157.89 -74.09 0.09 Allowed 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.316 0.646 . . . . 74.51 109.699 -177.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 155.21 83.24 0.04 OUTLIER Glycine 0 C--N 1.342 0.904 0 N-CA-C 109.994 -1.242 . . . . 74.41 109.994 -175.157 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.571 ' HB2' HG12 ' A' ' 48' ' ' ILE . 35.4 m -62.47 103.68 0.43 Allowed 'General case' 0 C--N 1.353 0.752 0 C-N-CA 123.551 0.74 . . . . 61.02 109.205 177.759 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 39.2 ttmt -66.82 -33.03 74.71 Favored 'General case' 0 N--CA 1.466 0.346 0 CA-C-N 114.899 -1.046 . . . . 64.54 111.005 -176.211 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 74.9 mtt85 -124.32 112.76 17.36 Favored 'General case' 0 CA--C 1.53 0.202 0 CA-C-O 121.479 0.657 . . . . 75.23 109.534 179.376 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.424 HG13 HD13 ' A' ' 12' ' ' ILE . 68.9 t -110.04 117.17 54.1 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.432 0 N-CA-C 104.663 -2.347 . . . . 60.25 104.663 167.856 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.6 mtpt -108.43 113.29 26.23 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-O 120.856 0.36 . . . . 64.52 110.488 -165.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 78.4 mt -97.47 110.95 26.25 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.45 0 N-CA-C 106.961 -1.496 . . . . 72.43 106.961 176.314 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . 0.638 ' HB2' ' HB2' ' A' ' 9' ' ' GLU . 31.4 mtp180 -114.83 144.5 43.42 Favored 'General case' 0 C--O 1.242 0.709 0 N-CA-C 106.704 -1.591 . . . . 74.34 106.704 179.18 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.449 ' HE1' ' HB3' ' A' ' 6' ' ' LEU . 71.0 t80 -154.6 139.48 17.21 Favored 'General case' 0 C--N 1.321 -0.67 0 N-CA-C 108.676 -0.861 . . . . 74.2 108.676 -174.593 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.721 ' HG2' ' H ' ' A' ' 63' ' ' LYS . 35.6 tt0 -83.42 144.83 29.35 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.07 0.548 . . . . 72.23 109.772 179.722 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.445 ' HD3' ' HD2' ' A' ' 70' ' ' ARG . 0.1 OUTLIER -119.58 15.24 12.81 Favored 'General case' 0 CA--C 1.563 1.462 0 CA-C-O 121.71 0.767 . . . . 74.33 109.415 179.38 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.721 ' H ' ' HG2' ' A' ' 61' ' ' GLU . 8.8 mmpt? -97.82 -60.67 1.52 Allowed 'General case' 0 N--CA 1.479 1.016 0 O-C-N 121.323 -0.861 . . . . 74.43 111.999 -172.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -87.94 52.19 4.13 Favored Glycine 0 N--CA 1.473 1.131 0 CA-C-O 120.063 -0.299 . . . . 60.41 112.795 -174.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.417 HD21 ' O ' ' A' ' 61' ' ' GLU . 3.1 pp -172.35 -174.05 1.16 Allowed 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 124.813 1.245 . . . . 75.23 109.793 -178.562 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -110.34 162.18 14.89 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 124.058 0.943 . . . . 74.34 110.285 -176.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.408 ' O ' ' HB3' ' A' ' 70' ' ' ARG . 22.1 t70 -58.8 -26.4 64.06 Favored 'General case' 0 N--CA 1.49 1.536 0 C-N-CA 124.923 1.289 . . . . 72.31 112.417 178.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -65.32 -44.02 89.19 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 123.746 0.818 . . . . 51.35 110.251 174.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.87 -32.74 74.21 Favored 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 123.866 0.867 . . . . 62.23 111.323 176.284 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.445 ' HD2' ' HD3' ' A' ' 62' ' ' LYS . 54.3 ttt180 -59.2 -48.84 80.13 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 124.32 1.048 . . . . 74.3 111.035 174.641 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -72.16 -39.24 68.86 Favored 'General case' 0 N--CA 1.481 1.08 0 C-N-CA 123.261 0.624 . . . . 74.13 111.856 -175.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 53.6 mttp -62.59 -43.52 98.6 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 123.124 0.57 . . . . 74.25 110.756 177.095 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -73.54 -29.0 62.17 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 115.424 -0.807 . . . . 74.55 111.659 178.361 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 83.0 tttt -63.29 -53.51 51.62 Favored 'General case' 0 C--N 1.347 0.483 0 O-C-N 123.715 0.634 . . . . 74.12 110.221 176.232 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.477 ' HA ' HD12 ' A' ' 78' ' ' LEU . 19.7 tptm -64.87 -38.31 90.53 Favored 'General case' 0 C--N 1.353 0.734 0 O-C-N 124.259 0.974 . . . . 74.44 110.172 -178.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.434 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 83.6 t90 -54.43 -51.99 63.22 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 123.986 0.914 . . . . 70.43 110.184 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -63.8 -34.72 78.54 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.236 1.014 . . . . 73.34 112.215 -176.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.477 HD12 ' HA ' ' A' ' 75' ' ' LYS . 85.3 mt -63.3 -50.39 70.26 Favored 'General case' 0 N--CA 1.474 0.765 0 O-C-N 124.039 0.837 . . . . 70.45 109.904 175.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.458 ' HB2' HD11 ' A' ' 37' ' ' LEU . 54.1 mt-10 -65.71 -38.42 89.16 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-N 114.954 -1.021 . . . . 75.14 111.443 -175.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 79.5 t -62.08 -50.13 81.3 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.121 0 C-N-CA 123.238 0.615 . . . . 63.51 110.444 175.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.81 -44.39 86.32 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 123.905 0.882 . . . . 64.34 111.899 -178.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 63.6 m-80 -75.73 -27.64 58.22 Favored 'General case' 0 N--CA 1.478 0.927 0 CA-C-N 115.486 -0.779 . . . . 71.15 111.39 178.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 26.3 tptp -72.09 -39.83 68.65 Favored 'General case' 0 N--CA 1.484 1.252 0 C-N-CA 122.596 0.358 . . . . 64.42 110.729 -177.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 75.6 mt -62.49 -41.24 91.14 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.801 0 C-N-CA 123.637 0.775 . . . . 73.12 109.371 173.667 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . 0.441 ' HA ' ' HB3' ' A' ' 90' ' ' ALA . . . -60.86 -30.08 69.92 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 115.342 -0.844 . . . . 71.32 112.002 176.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -69.53 -34.5 74.33 Favored 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 123.085 0.554 . . . . 61.41 110.597 177.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 11.0 mm-40 -76.07 -43.05 45.45 Favored 'General case' 0 N--CA 1.475 0.82 0 C-N-CA 123.282 0.633 . . . . 72.41 112.115 -173.769 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.567 HD12 ' HB2' ' A' ' 90' ' ' ALA . 1.6 pp -131.62 20.95 4.67 Favored 'General case' 0 N--CA 1.486 1.341 0 C-N-CA 123.101 0.561 . . . . 75.54 112.308 -168.113 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 79.64 -71.71 2.66 Favored Glycine 0 C--N 1.348 1.238 0 CA-C-N 116.44 -0.346 . . . . 65.04 112.743 175.127 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.757 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 61.86 -149.03 0.39 Allowed 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 124.339 1.056 . . . . 72.2 112.793 168.19 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.412 ' HB3' ' O ' ' A' ' 107' ' ' ILE . 86.5 tttt -136.46 -95.83 0.23 Allowed 'General case' 0 C--N 1.366 1.291 0 C-N-CA 123.665 0.786 . . . . 72.22 109.804 172.712 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.552 ' HG3' ' H ' ' A' ' 93' ' ' SER . 7.8 tp60 -166.07 -167.42 1.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-N 118.843 0.747 . . . . 71.13 110.339 -168.503 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.552 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 42.2 p -140.84 141.48 34.69 Favored 'General case' 0 C--N 1.356 0.881 0 C-N-CA 123.54 0.736 . . . . 74.44 111.76 -173.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 12.5 t -93.94 118.26 31.24 Favored 'General case' 0 CA--C 1.547 0.837 0 N-CA-C 108.003 -1.11 . . . . 75.43 108.003 171.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.47 ' HA ' HG22 ' A' ' 104' ' ' VAL . 67.5 p -106.34 109.47 21.4 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 123.332 0.653 . . . . 72.14 110.035 -174.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 65.1 m -117.81 110.08 17.36 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.701 0.801 . . . . 72.12 109.099 179.121 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 7.0 t -97.77 107.3 19.76 Favored 'General case' 0 CA--C 1.545 0.753 0 CA-C-O 121.422 0.629 . . . . 73.11 109.741 -177.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -109.07 151.93 25.73 Favored 'General case' 0 N--CA 1.476 0.861 0 N-CA-C 109.162 -0.681 . . . . 61.22 109.162 -178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -65.95 -22.65 70.59 Favored Glycine 0 C--N 1.347 1.167 0 O-C-N 124.004 0.815 . . . . 63.01 113.761 -177.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -90.88 -60.26 1.96 Allowed 'General case' 0 N--CA 1.474 0.769 0 C-N-CA 123.258 0.623 . . . . 60.05 109.803 178.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 92.8 m -132.5 125.59 30.98 Favored 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 123.936 0.894 . . . . 61.44 110.13 -177.027 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -75.09 108.91 8.14 Favored 'General case' 0 CA--C 1.553 1.07 0 N-CA-C 108.522 -0.918 . . . . 71.14 108.522 171.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -115.27 113.6 24.08 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 123.711 0.804 . . . . 71.33 109.864 -169.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.47 HG22 ' HA ' ' A' ' 95' ' ' THR . 78.1 t -131.39 107.12 13.02 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.933 0 N-CA-C 108.879 -0.785 . . . . 65.22 108.879 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -94.9 125.85 39.84 Favored 'General case' 0 N--CA 1.466 0.353 0 N-CA-C 106.726 -1.583 . . . . 70.02 106.726 174.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.525 HG13 ' HB3' ' A' ' 93' ' ' SER . 23.1 t -99.38 106.71 19.41 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 N-CA-C 107.859 -1.163 . . . . 55.33 107.859 -178.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.412 ' O ' ' HB3' ' A' ' 91' ' ' LYS . 3.7 mp -91.21 98.58 8.54 Favored 'Isoleucine or valine' 0 C--N 1.348 0.532 0 N-CA-C 108.046 -1.094 . . . . 63.42 108.046 -176.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.757 HD22 ' HB1' ' A' ' 90' ' ' ALA . 68.0 mt -103.83 100.99 10.8 Favored 'General case' 0 C--O 1.234 0.278 0 N-CA-C 108.821 -0.807 . . . . 73.53 108.821 179.568 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 -90.15 99.45 12.47 Favored 'General case' 0 CA--C 1.537 0.45 0 C-N-CA 123.103 0.561 . . . . 71.13 109.774 -178.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.429 HD21 HD13 ' A' ' 88' ' ' LEU . 5.3 mp -105.06 111.96 24.92 Favored 'General case' 0 N--CA 1.468 0.445 0 N-CA-C 108.114 -1.069 . . . . 75.45 108.114 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -72.29 -61.25 1.86 Allowed 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 107.774 -1.195 . . . . 73.03 107.774 168.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -163.51 -80.52 0.03 OUTLIER 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 125.295 1.438 . . . . 73.32 108.719 167.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.7 p-80 -75.84 150.93 37.56 Favored 'General case' 0 N--CA 1.477 0.921 0 CA-C-O 120.92 0.39 . . . . 73.54 111.758 -172.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 25.5 m80 -139.28 142.85 37.72 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.744 0.818 . . . . 73.35 109.192 169.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 32.7 m170 -74.71 81.89 2.07 Favored 'General case' 0 C--O 1.241 0.62 0 O-C-N 123.934 0.771 . . . . 54.23 109.841 175.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 31.5 p80 -79.64 142.61 35.42 Favored 'General case' 0 C--O 1.239 0.502 0 CA-C-N 114.947 -1.024 . . . . 70.24 109.394 177.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 73.0 m80 . . . . . 0 CA--C 1.551 0.99 0 N-CA-C 108.387 -0.968 . . . . 64.02 108.387 171.794 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 70.2 mtm . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 110.302 -0.258 . . . . 71.33 110.302 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.45 -7.94 0.1 Allowed 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 123.184 0.594 . . . . 42.41 111.919 -179.187 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.418 ' HA3' ' O ' ' A' ' 27' ' ' PHE . . . -158.76 60.54 0.32 Allowed Glycine 0 C--N 1.353 1.518 0 C-N-CA 121.622 -0.323 . . . . 35.54 112.709 -176.408 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 56.0 pttt -70.68 -28.19 64.59 Favored 'General case' 0 N--CA 1.487 1.381 0 C-N-CA 123.484 0.713 . . . . 73.51 112.145 -178.652 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -82.44 6.37 17.49 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 115.58 -0.736 . . . . 71.13 111.088 175.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -121.43 96.25 5.0 Favored 'General case' 0 C--N 1.351 0.648 0 N-CA-C 107.168 -1.419 . . . . 65.54 107.168 166.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 41.9 mtm180 -98.8 116.11 30.3 Favored 'General case' 0 N--CA 1.469 0.515 0 N-CA-C 108.271 -1.011 . . . . 74.15 108.271 -175.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.696 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.2 t -111.58 128.58 68.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.473 0 N-CA-C 109.413 -0.588 . . . . 63.43 109.413 -174.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -117.61 100.2 7.47 Favored 'General case' 0 N--CA 1.467 0.389 0 C-N-CA 124.313 1.045 . . . . 73.44 108.738 177.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.746 HG12 HD21 ' A' ' 25' ' ' LEU . 50.3 mm -93.01 113.14 27.39 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.605 0 N-CA-C 107.938 -1.134 . . . . 54.42 107.938 175.633 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.492 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 11.1 tmtt? -101.94 133.0 47.42 Favored 'General case' 0 CA--C 1.54 0.586 0 N-CA-C 108.193 -1.04 . . . . 52.25 108.193 -172.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' HG2' ' A' ' 47' ' ' LYS . 50.9 mm -97.85 131.99 43.64 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.591 0 C-N-CA 123.315 0.646 . . . . 75.42 109.324 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.458 ' HB2' ' HB3' ' A' ' 55' ' ' ARG . 10.7 m-20 -122.87 97.85 5.63 Favored 'General case' 0 N--CA 1.482 1.143 0 N-CA-C 108.442 -0.947 . . . . 50.41 108.442 167.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 50.3 t -103.25 -77.82 0.56 Allowed 'General case' 0 C--O 1.24 0.56 0 C-N-CA 123.308 0.643 . . . . 54.24 109.55 179.392 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -98.76 -20.25 19.73 Favored Glycine 0 C--N 1.35 1.341 0 O-C-N 123.404 0.44 . . . . 74.43 112.622 -177.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 16.7 m120 67.39 41.02 2.54 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.595 1.558 . . . . 75.52 111.376 -173.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -123.52 42.21 3.28 Favored 'General case' 0 N--CA 1.486 1.334 0 CA-C-N 115.196 -0.911 . . . . 70.25 111.095 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.1 t70 78.0 -39.12 0.27 Allowed 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.702 1.371 . . . . 61.11 114.702 167.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 49.1 tttm -62.76 -29.01 70.37 Favored 'General case' 0 N--CA 1.491 1.577 0 C-N-CA 123.855 0.862 . . . . 62.4 112.405 -172.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.5 pt-20 -58.58 148.79 27.53 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 124.483 1.113 . . . . 73.42 110.75 172.025 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 12.5 t -132.98 160.35 37.35 Favored 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 122.791 0.436 . . . . 72.11 110.849 -158.123 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 1.4 m -120.06 112.64 19.39 Favored 'General case' 0 C--O 1.236 0.346 0 N-CA-C 106.917 -1.512 . . . . 62.22 106.917 170.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.469 ' HE2' HG22 ' A' ' 40' ' ' VAL . 10.9 p90 -105.24 142.65 34.63 Favored 'General case' 0 C--O 1.24 0.59 0 N-CA-C 109.754 -0.462 . . . . 74.42 109.754 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 35.2 m-20 -86.94 140.04 30.01 Favored 'General case' 0 C--O 1.241 0.635 0 O-C-N 124.33 1.019 . . . . 72.43 110.564 -174.384 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.746 HD21 HG12 ' A' ' 10' ' ' ILE . 1.3 pt? -152.18 161.73 42.19 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-N 114.591 -1.186 . . . . 74.05 108.723 175.3 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 87.6 m-85 -142.18 139.39 32.05 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.557 0.743 . . . . 71.42 109.412 -173.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.418 ' O ' ' HA3' ' A' ' 3' ' ' GLY . 6.0 m-85 -119.6 145.56 46.3 Favored 'General case' 0 N--CA 1.482 1.155 0 C-N-CA 122.944 0.497 . . . . 73.31 110.343 178.075 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 17.0 t -97.56 -1.6 43.58 Favored 'General case' 0 CA--C 1.556 1.197 0 C-N-CA 123.553 0.741 . . . . 64.14 109.071 160.424 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? 69.05 50.83 0.56 Allowed 'General case' 0 C--N 1.37 1.477 0 C-N-CA 126.234 1.814 . . . . 55.01 111.836 176.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -143.64 -135.34 0.09 Allowed 'General case' 0 CA--C 1.561 1.368 0 CA-C-N 113.749 -1.569 . . . . 65.12 109.143 179.668 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 19.6 mp0 -64.77 -38.59 91.48 Favored 'General case' 0 N--CA 1.483 1.201 0 C-N-CA 123.96 0.904 . . . . 65.24 111.692 -177.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -66.42 -29.07 69.14 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 122.694 0.398 . . . . 65.05 110.463 -178.136 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -59.33 -42.98 92.74 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 123.54 0.736 . . . . 62.23 110.142 176.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.419 ' O ' ' HB3' ' A' ' 37' ' ' LEU . 95.7 mttt -68.96 -30.18 68.57 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 123.828 0.851 . . . . 71.2 111.61 176.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.46 ' HA ' ' HD3' ' A' ' 38' ' ' LYS . 13.8 tp10 -68.87 -44.05 74.1 Favored 'General case' 0 CA--C 1.549 0.93 0 C-N-CA 123.234 0.613 . . . . 73.54 110.412 178.025 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.567 HD13 ' HD2' ' A' ' 39' ' ' LYS . 2.6 mm? -67.41 -31.91 72.44 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 122.925 0.49 . . . . 51.44 111.174 174.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.419 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 6.1 tt -55.65 -47.2 77.08 Favored 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 123.869 0.868 . . . . 73.13 110.733 174.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 35' ' ' GLU . 6.9 mtpm? -59.34 -51.68 68.87 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 124.595 1.184 . . . . 72.34 110.233 177.059 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.567 ' HD2' HD13 ' A' ' 36' ' ' LEU . 97.6 mttt -59.63 -46.52 88.75 Favored 'General case' 0 CA--C 1.544 0.742 0 O-C-N 124.104 0.877 . . . . 74.05 111.835 -176.22 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.537 HG13 HG21 ' A' ' 10' ' ' ILE . 72.6 t -64.59 -41.51 92.48 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.113 0 C-N-CA 123.452 0.701 . . . . 64.42 111.033 179.095 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -64.77 -33.09 75.17 Favored 'General case' 0 CA--C 1.548 0.875 0 O-C-N 123.575 0.547 . . . . 51.2 111.037 179.523 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -74.7 -45.96 40.82 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 124.493 1.117 . . . . 53.25 111.704 176.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.499 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 70.3 mmtt -75.03 -31.34 61.31 Favored 'General case' 0 N--CA 1.485 1.303 0 C-N-CA 122.5 0.32 . . . . 74.32 111.086 -172.391 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.426 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -71.91 -34.76 69.35 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.049 0.54 . . . . 72.34 109.92 172.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -66.29 -30.31 70.7 Favored 'General case' 0 C--N 1.357 0.924 0 C-N-CA 124.118 0.967 . . . . 73.52 111.991 178.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG2' ' A' ' 50' ' ' LYS . 26.7 m-20 -61.99 -40.12 94.53 Favored 'General case' 0 N--CA 1.484 1.248 0 C-N-CA 122.613 0.365 . . . . 70.3 110.434 173.873 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.722 ' HG2' HG21 ' A' ' 12' ' ' ILE . 0.7 OUTLIER -76.02 -28.86 57.92 Favored 'General case' 0 N--CA 1.486 1.34 0 C-N-CA 124.603 1.161 . . . . 61.12 111.298 -179.655 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.793 HG21 ' HG ' ' A' ' 88' ' ' LEU . 13.9 mm -68.95 -34.44 64.18 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.22 0 CA-C-O 121.336 0.589 . . . . 63.15 109.475 169.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 ttpt -70.15 -32.74 70.87 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.22 1.008 . . . . 74.1 110.632 177.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.443 ' HG2' ' HA ' ' A' ' 47' ' ' LYS . 74.2 mmtt -59.97 -40.65 89.83 Favored 'General case' 0 N--CA 1.489 1.513 0 C-N-CA 122.862 0.465 . . . . 75.55 110.63 175.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -174.36 -53.33 0.01 OUTLIER 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 114.776 -1.102 . . . . 74.12 108.443 -178.2 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.464 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 156.96 105.39 0.22 Allowed Glycine 0 C--N 1.339 0.727 0 CA-C-N 114.929 -1.032 . . . . 61.15 110.977 -173.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.648 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 48.5 t -69.21 89.96 0.47 Allowed 'General case' 0 CA--C 1.541 0.607 0 N-CA-C 107.932 -1.136 . . . . 74.55 107.932 168.775 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.539 ' HA ' ' O ' ' A' ' 108' ' ' LEU . 24.3 pttm -65.54 -12.61 54.52 Favored 'General case' 0 N--CA 1.48 1.037 0 CA-C-N 114.964 -1.016 . . . . 63.23 113.158 -169.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.458 ' HB3' ' HB2' ' A' ' 13' ' ' ASP . 39.8 ttm180 -154.86 119.49 4.82 Favored 'General case' 0 C--O 1.222 -0.356 0 N-CA-C 107.162 -1.422 . . . . 65.45 107.162 178.432 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.507 HG22 ' SG ' ' A' ' 53' ' ' CYS . 61.3 t -110.57 116.63 52.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 N-CA-C 106.089 -1.819 . . . . 71.33 106.089 175.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.492 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 50.3 mttm -95.38 124.56 39.48 Favored 'General case' 0 N--CA 1.467 0.387 0 N-CA-C 109.475 -0.565 . . . . 75.31 109.475 -177.165 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 75.1 mt -102.78 110.58 29.83 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.338 0 N-CA-C 107.046 -1.465 . . . . 72.51 107.046 170.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -116.13 130.5 56.83 Favored 'General case' 0 N--CA 1.466 0.372 0 N-CA-C 107.89 -1.152 . . . . 71.01 107.89 179.428 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.424 ' HB3' ' HB3' ' A' ' 102' ' ' PHE . 27.3 t80 -157.41 159.84 37.78 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 108.517 -0.92 . . . . 73.34 108.517 -170.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.5 mt-10 -89.73 142.42 27.7 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 123.047 0.539 . . . . 74.33 111.27 -179.702 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.586 ' HG2' ' HB2' ' A' ' 102' ' ' PHE . 14.2 mmmm -130.75 174.55 9.84 Favored 'General case' 0 N--CA 1.472 0.643 0 C-N-CA 124.419 1.088 . . . . 72.51 109.582 175.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 76.25 -51.16 0.6 Allowed 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 125.403 1.481 . . . . 74.24 111.469 -179.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -78.08 1.09 70.76 Favored Glycine 0 C--N 1.348 1.249 0 CA-C-O 119.501 -0.61 . . . . 70.25 114.343 179.599 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.441 HD11 ' HE2' ' A' ' 62' ' ' LYS . 0.4 OUTLIER -101.32 175.12 5.69 Favored 'General case' 0 N--CA 1.484 1.272 0 C-N-CA 123.374 0.67 . . . . 72.35 111.219 172.812 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -73.0 162.09 29.91 Favored 'General case' 0 CA--C 1.549 0.932 0 CA-C-N 115.388 -0.824 . . . . 75.34 110.323 178.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -68.55 -32.02 71.66 Favored 'General case' 0 CA--C 1.554 1.099 0 C-N-CA 122.903 0.481 . . . . 65.22 111.486 -179.256 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -76.16 -33.77 59.37 Favored 'General case' 0 N--CA 1.479 1.009 0 N-CA-C 109.848 -0.427 . . . . 64.11 109.848 174.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -66.47 -29.43 69.55 Favored 'General case' 0 N--CA 1.486 1.338 0 C-N-CA 123.555 0.742 . . . . 73.32 111.323 174.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -62.67 -39.72 94.83 Favored 'General case' 0 CA--C 1.547 0.864 0 C-N-CA 125.433 1.493 . . . . 75.11 109.938 174.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -71.99 -49.59 35.87 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.628 1.171 . . . . 62.35 110.823 176.001 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.2 mmtm -62.49 -31.08 71.77 Favored 'General case' 0 N--CA 1.478 0.953 0 C-N-CA 124.009 0.924 . . . . 64.35 111.269 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.69 -48.04 64.92 Favored 'General case' 0 N--CA 1.478 0.975 0 C-N-CA 124.26 1.024 . . . . 60.35 110.525 176.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -64.76 -41.98 95.48 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 113.716 -1.584 . . . . 75.12 110.947 -175.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -68.98 -42.63 76.29 Favored 'General case' 0 N--CA 1.473 0.722 0 C-N-CA 123.501 0.721 . . . . 71.22 110.887 176.592 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 90.7 t90 -53.97 -52.74 59.74 Favored 'General case' 0 N--CA 1.478 0.93 0 O-C-N 124.288 0.993 . . . . 74.33 111.175 -176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.45 -36.08 77.38 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 124.122 0.889 . . . . 52.34 112.408 -177.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 95.8 mt -68.1 -47.23 68.79 Favored 'General case' 0 C--O 1.219 -0.527 0 O-C-N 123.83 0.707 . . . . 74.41 110.302 177.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -67.96 -32.39 72.78 Favored 'General case' 0 N--CA 1.483 1.177 0 C-N-CA 122.951 0.5 . . . . 75.33 112.309 -176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 73.9 t -62.76 -49.03 85.31 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 123.289 0.635 . . . . 75.42 109.368 169.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -59.7 -42.7 93.62 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.025 0.93 . . . . 41.13 111.82 -179.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 68.2 m-80 -75.52 -29.37 59.44 Favored 'General case' 0 N--CA 1.471 0.588 0 O-C-N 123.853 0.721 . . . . 73.35 111.195 -175.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -66.37 -50.26 64.12 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 109.017 -0.735 . . . . 74.43 109.017 179.037 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.3 mt -69.05 -37.44 76.98 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.039 0 C-N-CA 123.228 0.611 . . . . 74.53 109.939 -177.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.51 -32.99 74.69 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 123.125 0.57 . . . . 63.12 111.402 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -74.54 -43.08 57.47 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.576 0.75 . . . . 63.34 110.87 177.155 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.487 ' HB3' HD22 ' A' ' 88' ' ' LEU . 0.7 OUTLIER -65.64 -48.92 70.53 Favored 'General case' 0 N--CA 1.477 0.907 0 C-N-CA 124.523 1.129 . . . . 72.33 109.845 -172.571 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.793 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.5 mm? -91.1 -40.69 11.46 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.109 0.564 . . . . 73.11 111.471 -176.036 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 92.73 69.95 1.14 Allowed Glycine 0 C--N 1.331 0.276 0 N-CA-C 108.529 -1.828 . . . . 61.15 108.529 -169.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -136.32 179.79 6.14 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 123.809 0.844 . . . . 74.44 110.543 -168.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 74.2 mmtt -68.06 -177.85 0.92 Allowed 'General case' 0 CA--C 1.557 1.24 0 C-N-CA 124.228 1.011 . . . . 73.42 112.942 -174.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -97.88 -169.54 1.84 Allowed 'General case' 0 N--CA 1.485 1.314 0 C-N-CA 124.21 1.004 . . . . 73.51 110.802 176.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.477 ' HB3' HG22 ' A' ' 106' ' ' VAL . 35.1 p -115.27 150.67 35.84 Favored 'General case' 0 C--N 1.347 0.477 0 C-N-CA 123.937 0.895 . . . . 62.44 111.045 177.659 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 11.4 t -95.0 139.92 30.69 Favored 'General case' 0 CA--C 1.543 0.679 0 N-CA-C 107.597 -1.26 . . . . 73.04 107.597 165.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 3.5 t -123.06 114.11 19.93 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.271 0.558 . . . . 75.22 112.325 -170.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 90.7 m -109.44 111.84 23.61 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 107.457 -1.312 . . . . 64.44 107.457 166.336 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 13.8 t -118.82 130.75 55.94 Favored 'General case' 0 C--O 1.243 0.745 0 N-CA-C 109.023 -0.732 . . . . 72.23 109.023 -177.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 68.88 -167.77 0.18 Allowed 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 124.288 1.035 . . . . 70.21 111.996 170.322 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . 86.02 -56.86 4.82 Favored Glycine 0 C--N 1.353 1.494 0 N-CA-C 110.903 -0.879 . . . . 42.24 110.903 -173.158 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -142.07 -70.51 0.35 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.002 0.921 . . . . 52.43 108.704 174.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 93.7 m -122.54 157.81 31.24 Favored 'General case' 0 CA--C 1.552 1.046 0 C-N-CA 123.778 0.831 . . . . 61.45 110.262 -176.594 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.586 ' HB2' ' HG2' ' A' ' 62' ' ' LYS . 46.5 t80 -92.49 110.43 21.85 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 124.316 1.046 . . . . 74.51 108.354 170.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -125.93 109.39 12.41 Favored 'General case' 0 N--CA 1.473 0.689 0 N-CA-C 107.856 -1.165 . . . . 71.04 107.856 176.673 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 73.9 t -122.97 107.4 19.19 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 N-CA-C 108.517 -0.92 . . . . 72.32 108.517 175.094 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.0 mt-10 -96.19 114.54 26.25 Favored 'General case' 0 C--O 1.241 0.616 0 N-CA-C 108.984 -0.747 . . . . 72.34 108.984 -177.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.477 HG22 ' HB3' ' A' ' 93' ' ' SER . 8.1 t -94.12 98.94 8.74 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.197 0 N-CA-C 106.383 -1.71 . . . . 73.52 106.383 176.069 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 69.0 mt -95.43 96.78 6.04 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.306 0 N-CA-C 108.488 -0.93 . . . . 73.04 108.488 -171.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.539 ' O ' ' HA ' ' A' ' 54' ' ' LYS . 67.2 mt -98.33 99.22 10.4 Favored 'General case' 0 CA--C 1.532 0.267 0 N-CA-C 108.974 -0.75 . . . . 51.22 108.974 -174.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 36.9 mt-10 -82.84 85.65 7.06 Favored 'General case' 0 C--O 1.236 0.349 0 C-N-CA 123.14 0.576 . . . . 64.32 109.675 -177.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -83.44 67.51 9.36 Favored 'General case' 0 CA--C 1.548 0.87 0 CA-C-O 122.296 1.046 . . . . 73.5 109.81 176.161 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.3 -7.91 41.34 Favored 'General case' 0 N--CA 1.481 1.11 0 CA-C-N 114.087 -1.415 . . . . 51.35 111.056 170.119 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -51.7 -41.42 61.46 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.193 1.397 . . . . 42.42 111.022 166.129 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -89.26 -6.65 56.62 Favored 'General case' 0 N--CA 1.484 1.232 0 N-CA-C 112.791 0.663 . . . . 71.24 112.791 -171.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 50.4 m-70 -136.67 -170.24 2.64 Favored 'General case' 0 N--CA 1.483 1.21 0 C-N-CA 123.983 0.913 . . . . 65.32 109.343 178.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 57.1 p-80 -89.78 165.85 13.91 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 109.38 -0.6 . . . . 74.33 109.38 172.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 62.4 m80 -86.73 -173.89 4.71 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.297 0.639 . . . . 75.54 111.076 -179.53 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 . . . . . 0 CA--C 1.551 1.007 0 C-N-CA 123.803 0.841 . . . . 73.42 109.505 -177.949 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.478 0.963 0 N-CA-C 108.655 -0.869 . . . . 72.21 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -135.01 93.03 2.95 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 123.56 0.744 . . . . 52.01 109.523 -177.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 71.63 -164.42 54.05 Favored Glycine 0 C--N 1.346 1.138 0 CA-C-N 115.845 -0.616 . . . . 51.32 113.414 177.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 89.6 mttt 68.4 166.27 0.25 Allowed 'General case' 0 N--CA 1.483 1.207 0 N-CA-C 114.27 1.211 . . . . 70.12 114.27 173.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -111.75 115.68 29.48 Favored 'General case' 0 C--O 1.243 0.717 0 CA-C-N 113.672 -1.604 . . . . 73.12 110.499 -170.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.637 HD22 ' HB2' ' A' ' 27' ' ' PHE . 7.8 mp -84.89 101.58 12.43 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 123.383 0.673 . . . . 71.45 109.256 177.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 98.5 mtt180 -76.53 104.26 6.95 Favored 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 123.091 0.556 . . . . 70.55 110.682 -170.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . . . . . . . . . 3.3 t -117.97 106.34 19.63 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.685 0 N-CA-C 108.159 -1.052 . . . . 71.51 108.159 177.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -119.17 98.41 6.15 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.948 0.899 . . . . 70.55 108.711 -179.477 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.456 ' O ' ' HA ' ' A' ' 22' ' ' THR . 40.9 mm -92.61 111.86 25.11 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 N-CA-C 109.727 -0.472 . . . . 74.2 109.727 -174.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.601 ' HB3' ' HB2' ' A' ' 57' ' ' LYS . 28.2 tptp -94.8 110.87 22.69 Favored 'General case' 0 CA--C 1.544 0.733 0 N-CA-C 109.269 -0.641 . . . . 73.13 109.269 -174.545 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.9 mm -101.39 112.62 34.99 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 123.181 0.592 . . . . 73.04 109.632 -176.627 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.408 ' HB2' ' O ' ' A' ' 55' ' ' ARG . 7.5 m-20 -107.44 102.08 11.38 Favored 'General case' 0 N--CA 1.472 0.649 0 C-N-CA 123.971 0.909 . . . . 75.53 109.394 178.134 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.556 ' SG ' ' HB3' ' A' ' 53' ' ' CYS . 38.3 m -124.91 -73.44 0.64 Allowed 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 123.249 0.62 . . . . 62.04 109.691 175.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -118.65 29.33 6.37 Favored Glycine 0 C--N 1.353 1.516 0 C-N-CA 123.055 0.36 . . . . 75.13 113.09 -175.844 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.514 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 28.5 p-10 -163.92 141.8 7.28 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 123.233 0.613 . . . . 71.13 110.756 -178.822 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -131.31 -54.98 1.03 Allowed 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 123.904 0.881 . . . . 55.1 108.757 176.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 35.8 t70 -79.09 67.12 4.72 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 108.261 -1.014 . . . . 74.43 108.261 172.285 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.514 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 53.4 tttp 169.1 90.83 0.0 OUTLIER 'General case' 0 C--O 1.244 0.764 0 C-N-CA 126.053 1.741 . . . . 75.11 106.54 -171.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.09 119.78 10.81 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 122.766 0.426 . . . . 73.53 110.841 -177.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 95.0 m -121.73 104.45 9.6 Favored 'General case' 0 C--N 1.35 0.613 0 N-CA-C 109.099 -0.704 . . . . 71.43 109.099 170.612 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.456 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 43.1 p -121.76 146.82 46.67 Favored 'General case' 0 C--O 1.244 0.764 0 C-N-CA 124.271 1.028 . . . . 72.15 108.931 173.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 59.6 m-85 -104.88 119.66 39.54 Favored 'General case' 0 C--O 1.234 0.263 0 N-CA-C 106.665 -1.606 . . . . 74.33 106.665 172.795 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -108.23 99.33 8.76 Favored 'General case' 0 C--O 1.24 0.575 0 N-CA-C 108.202 -1.036 . . . . 62.42 108.202 -172.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.44 HD13 ' HG ' ' A' ' 36' ' ' LEU . 4.1 pp -127.11 170.03 12.79 Favored 'General case' 0 C--O 1.237 0.432 0 CA-C-N 115.204 -0.907 . . . . 74.13 109.67 -179.747 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 90.3 m-85 -135.72 139.31 43.52 Favored 'General case' 0 C--O 1.242 0.659 0 C-N-CA 124.029 0.931 . . . . 71.23 108.692 -179.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.637 ' HB2' HD22 ' A' ' 6' ' ' LEU . 16.3 m-85 -79.93 101.93 8.89 Favored 'General case' 0 CA--C 1.533 0.308 0 N-CA-C 108.077 -1.082 . . . . 74.25 108.077 175.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 41.3 t -70.3 -58.93 3.21 Favored 'General case' 0 N--CA 1.47 0.543 0 N-CA-C 109.235 -0.654 . . . . 72.53 109.235 174.657 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 24.7 mmmt -147.99 -173.57 4.34 Favored 'General case' 0 N--CA 1.477 0.895 0 C-N-CA 124.651 1.18 . . . . 73.51 109.609 170.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.63 -59.89 3.76 Favored 'General case' 0 N--CA 1.478 0.947 0 C-N-CA 124.182 0.993 . . . . 74.44 113.109 -170.596 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.509 ' HA ' ' HE2' ' A' ' 34' ' ' LYS . 1.1 mp0 -57.49 -37.67 73.34 Favored 'General case' 0 N--CA 1.483 1.192 0 C-N-CA 123.466 0.706 . . . . 75.41 111.513 -177.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -67.54 -46.33 73.09 Favored 'General case' 0 CA--C 1.534 0.339 0 CA-C-N 115.06 -0.973 . . . . 72.45 109.948 178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -58.66 -40.24 82.94 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.882 0.873 . . . . 44.04 110.475 179.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.509 ' HE2' ' HA ' ' A' ' 31' ' ' GLU . 51.5 mtmt -65.12 -30.88 71.85 Favored 'General case' 0 N--CA 1.47 0.562 0 C-N-CA 122.959 0.503 . . . . 72.33 110.982 179.476 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.434 ' O ' ' HG2' ' A' ' 39' ' ' LYS . 39.1 tt0 -71.26 -43.89 66.33 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 109.528 -0.545 . . . . 72.45 109.528 174.734 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HG ' HD13 ' A' ' 25' ' ' LEU . 2.9 mm? -56.36 -32.8 65.09 Favored 'General case' 0 N--CA 1.489 1.482 0 C-N-CA 123.214 0.605 . . . . 62.2 111.111 173.626 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.484 ' HB3' ' O ' ' A' ' 34' ' ' LYS . 8.1 tt -61.51 -51.3 69.19 Favored 'General case' 0 N--CA 1.469 0.512 0 C-N-CA 124.367 1.067 . . . . 65.22 110.168 177.003 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.11 -30.41 67.6 Favored 'General case' 0 C--O 1.214 -0.789 0 O-C-N 123.627 0.579 . . . . 74.23 111.024 178.31 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 35' ' ' GLU . 33.5 mmtp -62.84 -49.64 74.08 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.513 0.597 . . . . 62.04 109.43 177.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 45.7 t -61.02 -45.5 98.44 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.718 0 C-N-CA 123.751 0.821 . . . . 73.22 111.257 176.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.407 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -62.49 -43.82 97.87 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.299 0.64 . . . . 42.4 111.699 -177.812 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.67 -32.95 58.26 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.12 0.968 . . . . 74.02 112.186 -177.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.47 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 72.7 mmtt -67.92 -44.94 75.71 Favored 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 109.533 -0.543 . . . . 73.22 109.533 174.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -62.41 -43.87 97.78 Favored 'General case' 0 C--N 1.348 0.522 0 O-C-N 124.129 0.893 . . . . 75.21 109.794 176.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.645 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -60.51 -36.45 78.38 Favored 'General case' 0 N--CA 1.48 1.06 0 C-N-CA 123.715 0.806 . . . . 51.04 111.403 179.209 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -67.36 -39.05 85.69 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 124.328 1.051 . . . . 74.11 110.645 175.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.47 ' HG2' ' O ' ' A' ' 43' ' ' LYS . 31.0 mmtp -72.12 -30.35 64.98 Favored 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 122.968 0.507 . . . . 64.51 110.776 179.466 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.704 HD13 HD11 ' A' ' 88' ' ' LEU . 49.5 mt -68.37 -37.33 77.75 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.08 0 C-N-CA 124.198 0.999 . . . . 71.42 109.659 174.1 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -65.52 -29.76 70.44 Favored 'General case' 0 CA--C 1.552 1.053 0 CA-C-N 115.564 -0.744 . . . . 71.33 110.231 175.296 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 57.0 mttp -85.07 -30.54 24.0 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 123.33 0.652 . . . . 75.42 112.037 176.391 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -178.12 113.26 0.07 Allowed 'General case' 0 N--CA 1.484 1.24 0 C-N-CA 125.15 1.38 . . . . 51.04 108.256 -175.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.427 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -53.81 115.4 4.92 Favored Glycine 0 C--N 1.347 1.162 0 CA-C-O 119.514 -0.604 . . . . 74.22 113.026 -174.331 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.556 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 31.2 p -65.42 95.61 0.21 Allowed 'General case' 0 C--N 1.361 1.091 0 C-N-CA 123.196 0.599 . . . . 64.12 110.239 -177.682 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.402 ' NZ ' ' HB3' ' A' ' 54' ' ' LYS . 7.5 mtpm? -66.18 -26.74 67.55 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-N 115.296 -0.866 . . . . 53.14 111.437 -176.469 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' O ' ' HB2' ' A' ' 13' ' ' ASP . 24.0 ttt180 -151.95 126.04 9.2 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 123.775 0.83 . . . . 74.24 108.853 176.6 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 58.2 t -108.05 146.96 13.35 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.488 0 N-CA-C 107.284 -1.376 . . . . 71.32 107.284 176.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.601 ' HB2' ' HB3' ' A' ' 11' ' ' LYS . 60.6 mttp -129.49 146.93 51.27 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.341 0.657 . . . . 74.23 109.924 179.193 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.535 ' HB ' ' HB ' ' A' ' 104' ' ' VAL . 70.9 mt -137.84 123.83 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.709 0 C-N-CA 124.637 1.175 . . . . 73.45 107.888 178.041 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 32.4 ttt180 -110.59 127.31 55.17 Favored 'General case' 0 C--O 1.238 0.462 0 N-CA-C 108.8 -0.815 . . . . 71.55 108.8 172.434 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -146.89 141.96 27.12 Favored 'General case' 0 CA--C 1.539 0.534 0 N-CA-C 107.145 -1.428 . . . . 75.13 107.145 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.455 ' HG2' HG22 ' A' ' 101' ' ' THR . 49.6 mt-10 -106.24 111.08 23.53 Favored 'General case' 0 N--CA 1.474 0.748 0 C-N-CA 123.235 0.614 . . . . 74.23 109.597 -179.532 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -138.67 105.83 5.48 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 122.639 0.375 . . . . 64.04 110.551 -176.457 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 61.1 tttm -106.47 -52.34 2.8 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 108.522 -0.918 . . . . 63.22 108.522 162.269 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -174.64 74.18 0.08 OUTLIER Glycine 0 C--N 1.346 1.12 0 CA-C-N 115.533 -0.758 . . . . 51.35 111.696 -179.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 6.9 mp -69.6 -42.24 74.67 Favored 'General case' 0 N--CA 1.487 1.376 0 C-N-CA 123.481 0.712 . . . . 62.33 110.256 178.054 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 26.9 t70 -176.21 158.52 1.93 Allowed 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 113.941 -1.481 . . . . 53.32 107.464 -175.593 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -61.86 -40.73 96.36 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 123.43 0.692 . . . . 74.01 111.621 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 37.4 t70 -78.22 -53.58 7.18 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-N 115.42 -0.809 . . . . 75.45 109.685 -178.63 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -55.85 -30.83 62.11 Favored 'General case' 0 N--CA 1.484 1.23 0 O-C-N 124.218 0.948 . . . . 72.21 112.292 -177.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -57.26 -52.05 66.89 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.76 1.224 . . . . 62.43 110.726 175.312 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 61.5 tttp -73.93 -32.97 63.76 Favored 'General case' 0 C--O 1.241 0.652 0 CA-C-N 114.655 -1.157 . . . . 73.51 111.06 -173.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 23.3 mmmt -65.98 -51.71 55.94 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 109.514 -0.55 . . . . 65.12 109.514 -178.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -63.29 -37.66 88.13 Favored 'General case' 0 C--O 1.24 0.596 0 O-C-N 124.299 0.999 . . . . 74.3 111.711 -179.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 49.3 tttp -57.17 -54.97 40.69 Favored 'General case' 0 CA--C 1.538 0.503 0 O-C-N 124.3 1.0 . . . . 72.55 110.98 177.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -73.05 -38.06 66.62 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.41 -0.359 . . . . 73.32 110.7 -175.321 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 85.4 t90 -57.31 -56.7 18.38 Favored 'General case' 0 N--CA 1.475 0.821 0 C-N-CA 124.618 1.167 . . . . 73.53 111.756 -170.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -67.06 -30.79 70.95 Favored 'General case' 0 N--CA 1.473 0.695 0 O-C-N 123.827 0.705 . . . . 52.42 111.825 -173.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 84.6 mt -70.52 -42.06 71.76 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.096 0.558 . . . . 65.32 110.181 175.083 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.41 ' HB3' HD11 ' A' ' 37' ' ' LEU . 14.2 mm-40 -72.87 -28.66 62.63 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 123.903 0.881 . . . . 73.31 111.97 -177.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 63.4 t -63.32 -45.32 98.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.763 0 N-CA-C 108.819 -0.808 . . . . 70.52 108.819 170.405 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.06 -38.83 87.6 Favored 'General case' 0 C--N 1.354 0.772 0 CA-C-N 115.073 -0.967 . . . . 33.21 111.171 176.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 85.5 m-20 -72.35 -46.11 56.88 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 123.668 0.787 . . . . 75.42 111.728 -178.233 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.527 ' O ' ' HG2' ' A' ' 87' ' ' GLU . 41.2 mmtm -56.25 -53.39 57.83 Favored 'General case' 0 N--CA 1.483 1.18 0 C-N-CA 123.157 0.583 . . . . 71.32 109.889 -177.202 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.407 HD11 ' HA ' ' A' ' 41' ' ' ALA . 67.0 mt -66.11 -35.54 75.27 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.976 0 O-C-N 124.345 1.028 . . . . 63.34 110.591 -178.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -60.81 -37.99 83.87 Favored 'General case' 0 N--CA 1.483 1.223 0 C-N-CA 122.958 0.503 . . . . 50.54 111.301 176.348 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -76.35 -35.0 58.94 Favored 'General case' 0 N--CA 1.482 1.153 0 C-N-CA 123.386 0.674 . . . . 73.45 111.008 178.39 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.527 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 34.1 mm-40 -64.49 -44.12 91.96 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 123.023 0.529 . . . . 73.24 110.358 179.472 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.704 HD11 HD13 ' A' ' 48' ' ' ILE . 33.7 mt -90.13 -29.06 18.54 Favored 'General case' 0 N--CA 1.474 0.765 0 CA-C-N 115.882 -0.599 . . . . 72.11 111.375 -174.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 68.53 26.68 74.24 Favored Glycine 0 C--N 1.344 1.001 0 N-CA-C 111.543 -0.623 . . . . 75.53 111.543 -169.731 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -86.01 -96.76 0.07 Allowed 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 123.443 0.697 . . . . 64.1 111.485 -171.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.463 ' HB2' ' O ' ' A' ' 107' ' ' ILE . 68.3 mttm -146.37 177.91 8.66 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.898 0.879 . . . . 74.12 110.239 -172.726 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 8.0 tp60 -96.06 -150.51 0.33 Allowed 'General case' 0 CA--C 1.561 1.4 0 C-N-CA 123.547 0.739 . . . . 62.21 109.554 179.502 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 45.5 t -139.45 153.05 47.49 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 118.528 0.604 . . . . 63.23 111.962 -167.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.7 t -96.72 120.21 36.63 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 107.42 -1.326 . . . . 73.34 107.42 167.435 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 70.0 p -129.77 117.43 20.25 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 123.398 0.679 . . . . 71.34 111.284 -168.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.7 m -84.42 112.62 20.52 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 107.249 -1.389 . . . . 61.53 107.249 165.091 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.0 t -120.28 126.51 50.75 Favored 'General case' 0 N--CA 1.482 1.129 0 N-CA-C 113.462 0.912 . . . . 64.5 113.462 -161.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 31.9 t70 78.42 -21.27 0.34 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 114.737 1.384 . . . . 23.33 114.737 158.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -67.92 -74.01 0.62 Allowed Glycine 0 C--N 1.347 1.161 0 N-CA-C 114.074 0.39 . . . . 75.15 114.074 -174.142 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -128.16 -53.89 1.29 Allowed 'General case' 0 N--CA 1.482 1.129 0 C-N-CA 123.257 0.623 . . . . 74.3 110.067 -175.098 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.455 HG22 ' HG2' ' A' ' 61' ' ' GLU . 26.7 p -126.91 122.67 35.27 Favored 'General case' 0 C--O 1.244 0.796 0 C-N-CA 123.577 0.751 . . . . 72.11 109.619 174.177 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -80.85 105.74 12.32 Favored 'General case' 0 CA--C 1.553 1.068 0 N-CA-C 107.563 -1.273 . . . . 74.41 107.563 176.406 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -122.13 118.18 28.06 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 124.392 1.077 . . . . 73.41 109.087 -171.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.535 ' HB ' ' HB ' ' A' ' 58' ' ' ILE . 96.0 t -123.39 108.18 20.55 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.89 0 C-N-CA 123.553 0.741 . . . . 75.43 109.637 -174.37 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -108.27 113.86 27.29 Favored 'General case' 0 N--CA 1.469 0.482 0 N-CA-C 108.712 -0.847 . . . . 63.44 108.712 173.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . . . . . . . . . 3.5 t -98.77 109.06 23.31 Favored 'Isoleucine or valine' 0 C--O 1.241 0.617 0 N-CA-C 108.85 -0.796 . . . . 61.14 108.85 -172.092 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.463 ' O ' ' HB2' ' A' ' 91' ' ' LYS . 39.1 mm -84.47 98.32 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.62 0 N-CA-C 108.894 -0.78 . . . . 54.42 108.894 -176.138 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 58.9 mt -112.98 100.79 8.9 Favored 'General case' 0 N--CA 1.476 0.851 0 N-CA-C 109.343 -0.614 . . . . 74.33 109.343 -177.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 37.8 mt-10 -100.67 94.42 6.09 Favored 'General case' 0 N--CA 1.471 0.602 0 C-N-CA 122.949 0.499 . . . . 72.21 109.948 -173.54 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.521 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.4 mp -109.29 53.55 0.68 Allowed 'General case' 0 N--CA 1.483 1.22 0 C-N-CA 123.765 0.826 . . . . 65.31 110.147 177.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 38.8 mt-10 -63.5 -44.69 93.6 Favored 'General case' 0 N--CA 1.478 0.961 0 N-CA-C 108.738 -0.838 . . . . 63.24 108.738 171.23 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 33.2 m80 -82.63 81.53 8.37 Favored 'General case' 0 CA--C 1.546 0.801 0 CA-C-N 114.58 -1.191 . . . . 71.41 107.943 171.237 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -62.16 126.5 27.57 Favored 'General case' 0 CA--C 1.551 0.985 0 CA-C-N 115.149 -0.932 . . . . 63.42 111.229 -176.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 78.9 t60 63.13 13.49 6.87 Favored 'General case' 0 CA--C 1.563 1.45 0 C-N-CA 124.475 1.11 . . . . 74.2 112.453 176.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -71.71 89.94 1.04 Allowed 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 109.032 -0.729 . . . . 73.33 109.032 177.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 17.2 t-80 -106.12 -27.14 11.28 Favored 'General case' 0 N--CA 1.473 0.708 0 C-N-CA 124.573 1.149 . . . . 75.05 110.578 -177.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 37.2 t-80 . . . . . 0 CA--C 1.561 1.383 0 C-N-CA 124.62 1.168 . . . . 72.43 109.928 -175.145 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.2 ttm . . . . . 0 N--CA 1.478 0.956 0 N-CA-C 109.995 -0.372 . . . . 65.41 109.995 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -75.86 99.4 4.47 Favored 'General case' 0 C--O 1.24 0.56 0 C-N-CA 122.997 0.519 . . . . 64.02 110.042 178.223 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -73.61 106.76 2.07 Favored Glycine 0 C--N 1.343 0.968 0 O-C-N 123.82 0.7 . . . . 52.53 111.916 179.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 81.1 tttt -69.21 155.26 40.7 Favored 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 123.252 0.621 . . . . 71.41 109.438 178.042 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.83 27.38 0.46 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 113.244 0.831 . . . . 72.43 113.244 -166.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.6 mp -89.49 99.99 12.87 Favored 'General case' 0 C--O 1.241 0.609 0 N-CA-C 108.119 -1.067 . . . . 74.23 108.119 171.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 46.1 ttm105 -79.42 111.17 15.41 Favored 'General case' 0 C--O 1.236 0.383 0 N-CA-C 109.568 -0.53 . . . . 72.21 109.568 -179.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.718 ' HB ' ' HG ' ' A' ' 25' ' ' LEU . 2.5 t -108.68 109.83 29.76 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.586 0 N-CA-C 107.871 -1.159 . . . . 71.04 107.871 176.616 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.7 mt-10 -114.0 100.16 8.2 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 123.267 0.627 . . . . 71.5 109.332 178.032 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.581 HG12 HD21 ' A' ' 25' ' ' LEU . 22.7 mm -91.94 114.08 28.41 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 N-CA-C 108.166 -1.05 . . . . 74.34 108.166 178.745 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 1.9 tmtp? -93.24 114.99 27.6 Favored 'General case' 0 C--O 1.239 0.539 0 C-N-CA 123.637 0.775 . . . . 63.23 108.919 -175.071 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.401 HG21 ' HD3' ' A' ' 47' ' ' LYS . 32.7 mm -95.22 112.96 28.59 Favored 'Isoleucine or valine' 0 C--O 1.242 0.658 0 N-CA-C 107.774 -1.195 . . . . 74.4 107.774 173.546 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -106.57 112.2 25.08 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 114.925 -1.034 . . . . 75.52 108.55 -176.567 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 48.8 t -143.9 162.96 34.79 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 123.487 0.715 . . . . 64.04 110.654 -171.098 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -121.14 58.14 0.58 Allowed Glycine 0 C--N 1.347 1.187 0 N-CA-C 110.918 -0.873 . . . . 73.22 110.918 176.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -132.19 32.27 4.01 Favored 'General case' 0 N--CA 1.48 1.059 0 C-N-CA 123.544 0.737 . . . . 71.55 110.653 -171.439 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 31.1 t70 67.01 6.24 4.59 Favored 'General case' 0 N--CA 1.492 1.664 0 C-N-CA 123.498 0.719 . . . . 60.03 111.167 177.024 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 38.1 m-20 -74.59 -25.31 59.19 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 123.956 0.902 . . . . 73.44 111.675 -176.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.408 ' HG2' ' N ' ' A' ' 20' ' ' GLU . 24.3 ttmm 71.95 174.52 0.29 Allowed 'General case' 0 CA--C 1.557 1.244 0 O-C-N 124.955 1.41 . . . . 53.24 108.911 -166.732 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . 0.408 ' N ' ' HG2' ' A' ' 19' ' ' LYS . 10.2 pt-20 -59.13 118.0 5.37 Favored 'General case' 0 CA--C 1.55 0.955 0 N-CA-C 108.865 -0.791 . . . . 72.25 108.865 168.366 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . . . . . . . . . 5.8 p -119.83 105.2 10.88 Favored 'General case' 0 N--CA 1.469 0.52 0 N-CA-C 108.68 -0.859 . . . . 70.41 108.68 -175.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 2.5 m -116.27 137.13 52.4 Favored 'General case' 0 C--O 1.237 0.42 0 N-CA-C 108.875 -0.787 . . . . 72.15 108.875 -179.163 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -105.8 128.54 53.79 Favored 'General case' 0 C--O 1.235 0.34 0 C-N-CA 123.208 0.603 . . . . 75.44 109.385 -177.075 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -96.27 97.5 9.55 Favored 'General case' 0 C--O 1.241 0.607 0 N-CA-C 108.732 -0.84 . . . . 63.25 108.732 175.376 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.718 ' HG ' ' HB ' ' A' ' 8' ' ' VAL . 0.6 OUTLIER -115.1 161.77 17.93 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-N 114.808 -1.087 . . . . 72.42 108.281 175.349 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 96.0 m-85 -132.91 123.86 26.77 Favored 'General case' 0 C--O 1.245 0.816 0 N-CA-C 109.228 -0.656 . . . . 73.31 109.228 -175.27 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . . . . . . . . . 23.6 t80 -76.93 87.22 3.47 Favored 'General case' 0 C--O 1.24 0.566 0 N-CA-C 107.203 -1.406 . . . . 65.13 107.203 169.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 16.2 m -88.72 -22.0 23.58 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 114.324 -1.307 . . . . 74.34 109.51 170.424 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 58.7 tttp -165.33 156.13 13.92 Favored 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 124.733 1.213 . . . . 73.14 108.117 -175.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -76.2 -31.61 58.53 Favored 'General case' 0 N--CA 1.48 1.029 0 C-N-CA 123.307 0.643 . . . . 64.14 111.311 -177.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -69.37 -41.23 76.82 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 123.601 0.76 . . . . 54.41 109.379 175.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -60.51 -49.97 75.43 Favored 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 115.454 -0.793 . . . . 71.22 110.069 172.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -55.32 -36.63 66.43 Favored 'General case' 0 C--O 1.216 -0.709 0 O-C-N 124.182 0.926 . . . . 75.44 110.899 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -62.21 -39.51 93.01 Favored 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 124.204 1.002 . . . . 63.34 111.588 178.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . . . . . . . . . 32.8 tt0 -68.0 -49.9 58.77 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 109.943 -0.391 . . . . 63.54 109.943 177.1 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.482 ' HB3' HD13 ' A' ' 25' ' ' LEU . 3.8 mm? -59.2 -32.95 70.4 Favored 'General case' 0 CA--C 1.548 0.876 0 CA-C-N 114.943 -1.026 . . . . 61.0 111.434 177.44 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.457 ' HB2' ' HE1' ' A' ' 76' ' ' TRP . 3.6 tt -60.1 -49.89 75.85 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.7 1.2 . . . . 74.33 109.889 177.495 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -65.76 -44.96 84.3 Favored 'General case' 0 C--N 1.348 0.542 0 O-C-N 124.251 0.969 . . . . 75.34 110.781 -177.606 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.428 ' O ' ' HG2' ' A' ' 43' ' ' LYS . 96.2 mttt -61.13 -52.72 63.69 Favored 'General case' 0 N--CA 1.477 0.919 0 O-C-N 123.713 0.633 . . . . 71.14 111.409 -177.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 74.6 t -70.6 -36.85 67.41 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.798 0 C-N-CA 123.058 0.543 . . . . 71.4 111.147 -174.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -68.64 -33.57 74.23 Favored 'General case' 0 N--CA 1.479 1.025 0 C-N-CA 122.562 0.345 . . . . 54.52 110.877 178.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -69.51 -38.49 77.62 Favored 'General case' 0 N--CA 1.473 0.688 0 C-N-CA 124.441 1.096 . . . . 63.03 110.385 176.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.428 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 5.0 mmpt? -70.67 -39.83 73.34 Favored 'General case' 0 C--N 1.357 0.923 0 CA-C-N 116.216 -0.447 . . . . 73.14 110.428 178.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -60.6 -43.17 97.73 Favored 'General case' 0 N--CA 1.472 0.627 0 C-N-CA 123.321 0.649 . . . . 73.22 110.102 174.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -62.83 -32.84 74.13 Favored 'General case' 0 CA--C 1.543 0.709 0 CA-C-N 114.94 -1.027 . . . . 42.52 111.148 176.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 24.9 m-20 -61.29 -53.54 55.4 Favored 'General case' 0 C--N 1.363 1.183 0 C-N-CA 122.963 0.505 . . . . 73.43 110.556 174.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.401 ' HD3' HG21 ' A' ' 12' ' ' ILE . 3.0 mptp? -61.43 -29.29 69.85 Favored 'General case' 0 N--CA 1.486 1.375 0 C-N-CA 122.53 0.332 . . . . 71.15 111.667 -177.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.493 HG21 ' HG ' ' A' ' 88' ' ' LEU . 55.0 mt -70.24 -45.83 74.13 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.868 0 CA-C-O 120.851 0.357 . . . . 75.04 110.527 172.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -65.12 -39.28 92.86 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 123.511 0.724 . . . . 75.14 111.172 -174.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 14.3 mptt -75.66 -42.62 50.82 Favored 'General case' 0 CA--C 1.551 1.003 0 CA-C-N 115.55 -0.75 . . . . 73.24 110.315 179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 57.0 tp60 -132.0 -76.57 0.51 Allowed 'General case' 0 N--CA 1.482 1.145 0 C-N-CA 123.454 0.702 . . . . 71.21 110.17 -178.02 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' HA2' ' HA ' ' A' ' 48' ' ' ILE . . . 145.14 72.97 0.02 OUTLIER Glycine 0 C--N 1.344 1.017 0 N-CA-C 110.491 -1.043 . . . . 51.12 110.491 -172.766 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.442 ' SG ' HG13 ' A' ' 48' ' ' ILE . 28.4 p -74.61 83.21 2.05 Favored 'General case' 0 C--N 1.355 0.842 0 CA-C-O 122.022 0.915 . . . . 73.12 108.564 172.43 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 49.2 mttp -76.91 -30.37 56.1 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 114.509 -1.223 . . . . 73.43 111.128 -172.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -108.33 110.78 22.44 Favored 'General case' 0 CA--C 1.529 0.158 0 N-CA-C 108.493 -0.928 . . . . 63.22 108.493 176.532 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 85.9 t -115.35 140.55 36.25 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.294 0 N-CA-C 107.144 -1.428 . . . . 71.41 107.144 179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -121.31 120.63 35.65 Favored 'General case' 0 N--CA 1.471 0.586 0 N-CA-C 108.697 -0.853 . . . . 73.41 108.697 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 74.9 mt -100.29 114.43 38.92 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.643 0 N-CA-C 107.579 -1.267 . . . . 64.34 107.579 175.653 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 70.2 mtt180 -113.97 140.01 48.76 Favored 'General case' 0 C--O 1.239 0.524 0 C-N-CA 123.32 0.648 . . . . 74.23 109.288 176.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.442 ' CD1' HG22 ' A' ' 8' ' ' VAL . 62.5 t80 -151.85 140.84 21.13 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 114.699 -1.137 . . . . 72.32 108.462 -178.449 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 50.2 mt-10 -102.77 102.32 12.46 Favored 'General case' 0 C--O 1.243 0.733 0 N-CA-C 109.794 -0.446 . . . . 50.34 109.794 175.758 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -89.85 107.78 19.31 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 106.055 -1.831 . . . . 73.01 106.055 170.295 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 82.8 tttt -158.63 -69.34 0.09 Allowed 'General case' 0 C--O 1.239 0.55 0 N-CA-C 109.237 -0.653 . . . . 51.21 109.237 -174.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -90.37 50.53 3.3 Favored Glycine 0 C--N 1.337 0.624 0 CA-C-N 115.473 -0.785 . . . . 75.13 112.044 179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.526 ' HB2' ' HB3' ' A' ' 69' ' ' ALA . 0.3 OUTLIER -129.05 177.44 7.13 Favored 'General case' 0 C--N 1.351 0.637 0 CA-C-O 121.318 0.58 . . . . 63.32 112.036 178.765 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.17 160.92 20.75 Favored 'General case' 0 C--O 1.243 0.763 0 CA-C-N 114.435 -1.257 . . . . 72.12 109.128 169.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 25.3 t70 -60.24 -35.38 75.34 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 123.211 0.605 . . . . 74.55 109.767 172.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -63.04 -49.6 73.94 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 124.458 1.103 . . . . 71.25 110.397 175.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . 0.526 ' HB3' ' HB2' ' A' ' 65' ' ' LEU . . . -61.57 -32.17 72.24 Favored 'General case' 0 N--CA 1.485 1.299 0 C-N-CA 123.648 0.779 . . . . 72.11 111.584 -179.628 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 2.8 tmt_? -69.87 -43.52 71.68 Favored 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 123.669 0.788 . . . . 75.25 109.465 178.284 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 65.8 tttp -66.36 -38.2 87.05 Favored 'General case' 0 N--CA 1.481 1.121 0 C-N-CA 123.806 0.843 . . . . 71.34 110.937 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm -63.03 -52.27 63.51 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 123.838 0.855 . . . . 72.5 110.374 176.243 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -68.13 -29.86 68.87 Favored 'General case' 0 N--CA 1.478 0.96 0 C-N-CA 124.199 0.999 . . . . 72.33 112.059 -176.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 38.1 tttp -57.15 -55.0 40.45 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 124.259 1.024 . . . . 71.25 109.9 174.094 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.446 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 36.7 ttpt -69.72 -37.56 76.58 Favored 'General case' 0 C--N 1.346 0.42 0 CA-C-N 114.699 -1.137 . . . . 62.23 110.121 -178.359 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.457 ' HE1' ' HB2' ' A' ' 37' ' ' LEU . 89.4 t90 -59.47 -48.71 80.62 Favored 'General case' 0 CA--C 1.539 0.535 0 C-N-CA 124.445 1.098 . . . . 73.53 111.214 -176.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.46 -30.88 69.95 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.587 0.755 . . . . 71.13 111.617 179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 82.3 mt -74.19 -40.92 62.19 Favored 'General case' 0 N--CA 1.47 0.554 0 C-N-CA 123.701 0.8 . . . . 53.33 110.223 176.369 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.509 ' O ' ' HG2' ' A' ' 83' ' ' LYS . 64.4 mm-40 -60.82 -51.06 70.92 Favored 'General case' 0 C--N 1.359 1.0 0 O-C-N 123.681 0.613 . . . . 75.44 109.744 178.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.407 HG23 ' O ' ' A' ' 76' ' ' TRP . 98.7 t -54.68 -47.64 72.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.261 0 C-N-CA 124.452 1.101 . . . . 73.13 111.072 179.26 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -58.29 -42.02 85.68 Favored 'General case' 0 N--CA 1.475 0.8 0 O-C-N 123.952 0.782 . . . . 70.33 111.646 178.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 27.7 m-80 -74.68 -27.87 60.59 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 123.592 0.757 . . . . 72.25 111.695 178.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.509 ' HG2' ' O ' ' A' ' 79' ' ' GLU . 71.6 mmtt -66.81 -48.11 69.97 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 109.684 -0.487 . . . . 72.24 109.684 178.184 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 59.3 mt -63.21 -43.96 99.04 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.886 0 C-N-CA 124.479 1.112 . . . . 64.53 110.428 178.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -66.39 -51.53 56.13 Favored 'General case' 0 C--N 1.354 0.762 0 CA-C-N 115.487 -0.778 . . . . 74.23 112.043 -176.199 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.7 t30 -56.1 -34.73 66.28 Favored 'General case' 0 N--CA 1.486 1.354 0 C-N-CA 124.217 1.007 . . . . 53.4 112.73 -171.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.46 ' HG2' ' O ' ' A' ' 83' ' ' LYS . 13.6 mm-40 -62.75 -28.81 70.22 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 123.001 0.521 . . . . 62.14 112.238 -177.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.517 ' HB3' HD21 ' A' ' 110' ' ' LEU . 3.0 mm? -116.64 12.47 14.99 Favored 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 123.783 0.833 . . . . 70.25 110.829 179.287 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 73.35 -76.14 0.95 Allowed Glycine 0 C--N 1.349 1.288 0 N-CA-C 110.434 -1.066 . . . . 74.43 110.434 -169.164 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.533 ' HB1' HD22 ' A' ' 108' ' ' LEU . . . 58.83 -150.78 0.43 Allowed 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.812 1.245 . . . . 71.03 112.91 164.034 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 84.6 tttt -138.55 163.88 30.87 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 123.027 0.531 . . . . 74.31 110.482 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -74.89 176.56 7.0 Favored 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.2 1.0 . . . . 62.41 112.704 179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 61.5 p -114.5 153.17 30.47 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-N 114.798 -1.092 . . . . 65.22 111.329 -176.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 7.1 t -93.2 131.04 38.65 Favored 'General case' 0 CA--C 1.54 0.596 0 N-CA-C 108.961 -0.755 . . . . 73.32 108.961 173.271 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.423 HG23 HG22 ' A' ' 104' ' ' VAL . 34.9 m -104.41 126.67 51.72 Favored 'General case' 0 C--O 1.236 0.356 0 C-N-CA 123.605 0.762 . . . . 74.42 109.599 -178.796 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 78.9 m -130.74 115.84 17.2 Favored 'General case' 0 C--O 1.24 0.563 0 C-N-CA 123.653 0.781 . . . . 75.44 109.354 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 6.2 t -94.48 105.2 17.16 Favored 'General case' 0 CA--C 1.545 0.768 0 CA-C-O 122.185 0.993 . . . . 73.4 108.538 173.586 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -102.94 171.66 7.26 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.217 1.007 . . . . 62.3 109.296 -178.203 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -56.14 92.32 0.02 OUTLIER Glycine 0 C--N 1.351 1.404 0 C-N-CA 123.386 0.517 . . . . 63.32 113.422 179.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 67.89 6.0 4.86 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 125.694 1.597 . . . . 74.02 113.464 179.052 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 33.3 m -121.13 145.6 47.64 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 107.873 -1.158 . . . . 64.43 107.873 173.229 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 48.1 t80 -135.18 107.06 7.03 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 107.247 -1.39 . . . . 73.25 107.247 -174.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -117.87 118.91 33.29 Favored 'General case' 0 C--O 1.237 0.425 0 C-N-CA 123.417 0.687 . . . . 75.51 109.737 -176.01 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.423 HG22 HG23 ' A' ' 95' ' ' THR . 63.4 t -111.05 105.41 18.77 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.41 0 N-CA-C 106.916 -1.513 . . . . 74.41 106.916 173.552 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -95.52 119.74 34.54 Favored 'General case' 0 N--CA 1.466 0.362 0 N-CA-C 108.874 -0.788 . . . . 53.4 108.874 -175.317 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.514 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 4.4 t -96.27 107.11 19.26 Favored 'Isoleucine or valine' 0 C--O 1.235 0.341 0 N-CA-C 108.51 -0.922 . . . . 72.22 108.51 -172.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 50.9 mm -101.46 97.76 6.07 Favored 'Isoleucine or valine' 0 C--O 1.237 0.411 0 N-CA-C 108.41 -0.959 . . . . 65.45 108.41 178.443 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.533 HD22 ' HB1' ' A' ' 90' ' ' ALA . 60.2 mt -85.12 102.41 13.24 Favored 'General case' 0 CA--C 1.546 0.808 0 CA-C-N 114.651 -1.159 . . . . 74.11 109.699 175.741 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 22.8 mm-40 -92.45 95.2 9.51 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.33 0.652 . . . . 70.33 110.041 176.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.517 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.9 mp -110.24 -5.06 15.39 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 123.616 0.766 . . . . 72.25 110.379 174.044 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 -71.86 82.02 0.91 Allowed 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 123.465 0.706 . . . . 71.22 110.859 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 51.2 t60 -136.79 1.71 2.56 Favored 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 123.733 0.813 . . . . 73.23 110.095 178.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 42.0 t-80 -80.06 68.53 6.22 Favored 'General case' 0 N--CA 1.48 1.05 0 CA-C-O 121.834 0.826 . . . . 75.1 108.959 175.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 16.2 p80 173.17 159.41 0.12 Allowed 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 126.659 1.983 . . . . 73.53 107.124 -174.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 78.6 t60 73.26 3.85 4.72 Favored 'General case' 0 N--CA 1.497 1.911 0 C-N-CA 124.198 0.999 . . . . 72.44 111.955 177.636 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -61.15 -38.62 87.11 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 124.181 0.992 . . . . 71.1 110.326 178.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 76.6 t60 . . . . . 0 CA--C 1.551 0.99 0 CA-C-N 115.294 -0.866 . . . . 74.11 108.689 171.721 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.5 mtp . . . . . 0 N--CA 1.479 0.981 0 N-CA-C 109.099 -0.704 . . . . 73.42 109.099 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' HB3' ' HB2' ' A' ' 5' ' ' GLU . . . -132.41 -29.53 1.57 Allowed 'General case' 0 N--CA 1.485 1.301 0 C-N-CA 123.691 0.796 . . . . 73.33 111.59 -175.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 100.15 -71.72 0.46 Allowed Glycine 0 C--N 1.354 1.534 0 N-CA-C 111.324 -0.71 . . . . 73.21 111.324 -178.318 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.77 ' HD3' ' H ' ' A' ' 4' ' ' LYS . 0.3 OUTLIER -73.73 74.85 1.56 Allowed 'General case' 0 CA--C 1.55 0.95 0 CA-C-O 122.333 1.064 . . . . 44.03 108.333 166.564 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.46 ' HB2' ' HB3' ' A' ' 2' ' ' ALA . 48.2 tt0 -148.61 125.68 11.38 Favored 'General case' 0 C--O 1.238 0.449 0 CA-C-N 114.746 -1.115 . . . . 62.53 110.574 -164.013 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.6 mp -87.1 98.7 11.43 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 108.394 -0.965 . . . . 72.41 108.394 179.329 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 99.6 mtt180 -92.55 128.88 38.57 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 115.76 -0.655 . . . . 72.0 109.998 -177.413 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.76 HG21 ' HG ' ' A' ' 25' ' ' LEU . 27.2 m -118.82 139.29 46.69 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.633 0 C-N-CA 123.985 0.914 . . . . 74.55 110.246 -179.037 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -117.35 95.79 5.13 Favored 'General case' 0 C--N 1.33 -0.275 0 N-CA-C 106.537 -1.653 . . . . 64.01 106.537 162.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.502 ' O ' ' HA ' ' A' ' 22' ' ' THR . 36.3 mm -92.29 105.03 16.22 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.3 0 N-CA-C 105.896 -1.89 . . . . 74.22 105.896 177.656 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 tmtt? -97.05 118.09 32.67 Favored 'General case' 0 C--O 1.24 0.572 0 N-CA-C 108.117 -1.068 . . . . 75.4 108.117 -172.552 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.82 HG21 ' HG3' ' A' ' 47' ' ' LYS . 36.1 mm -95.95 129.72 45.64 Favored 'Isoleucine or valine' 0 C--O 1.241 0.62 0 CA-C-N 115.539 -0.755 . . . . 74.33 109.589 178.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -92.46 140.56 29.44 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.064 0.946 . . . . 65.53 108.804 171.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.433 ' SG ' ' HB3' ' A' ' 51' ' ' GLN . 42.5 t -171.1 -53.95 0.02 OUTLIER 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 108.511 -0.922 . . . . 72.01 108.511 178.123 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 169.52 59.55 0.04 OUTLIER Glycine 0 C--N 1.352 1.469 0 N-CA-C 110.764 -0.934 . . . . 70.44 110.764 179.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.477 HD21 HG22 ' A' ' 21' ' ' THR . 16.4 m120 -90.44 68.21 6.74 Favored 'General case' 0 N--CA 1.478 0.947 0 CA-C-O 121.633 0.73 . . . . 75.12 111.268 -171.077 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -75.53 -38.92 58.99 Favored 'General case' 0 N--CA 1.478 0.946 0 CA-C-N 114.92 -1.036 . . . . 64.51 108.475 168.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -126.11 152.98 45.18 Favored 'General case' 0 C--O 1.245 0.825 0 CA-C-N 114.32 -1.309 . . . . 72.55 108.795 171.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 95.6 mttt 67.63 103.33 0.05 OUTLIER 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 124.978 1.311 . . . . 71.11 111.778 176.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.4 tt0 -76.39 117.66 18.28 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 108.592 -0.892 . . . . 75.3 108.592 171.033 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.477 HG22 HD21 ' A' ' 16' ' ' ASN . 5.0 t -103.45 106.4 16.9 Favored 'General case' 0 C--O 1.244 0.769 0 CA-C-O 121.77 0.795 . . . . 54.22 109.609 176.094 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . 0.502 ' HA ' ' O ' ' A' ' 10' ' ' ILE . 58.4 p -127.0 137.79 53.15 Favored 'General case' 0 C--O 1.239 0.513 0 CA-C-N 114.73 -1.123 . . . . 73.3 108.655 172.296 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . . . . . . . . . 64.1 m-85 -103.72 127.07 51.23 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 122.693 0.397 . . . . 74.44 110.192 -175.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -92.08 134.59 34.7 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 124.086 0.954 . . . . 75.41 109.697 178.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.76 ' HG ' HG21 ' A' ' 8' ' ' VAL . 3.0 pp -158.46 144.01 16.67 Favored 'General case' 0 C--O 1.239 0.52 0 C-N-CA 124.259 1.023 . . . . 62.14 108.638 179.886 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 99.5 m-85 -126.72 95.24 4.27 Favored 'General case' 0 C--O 1.24 0.553 0 C-N-CA 123.807 0.843 . . . . 73.31 109.277 -173.164 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.486 ' HD1' ' HB2' ' A' ' 33' ' ' ALA . 20.6 t80 -68.98 131.03 44.42 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-N 115.225 -0.898 . . . . 73.51 110.143 174.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.8 m -147.96 -28.54 0.33 Allowed 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.06 1.344 . . . . 62.12 109.265 176.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 13.0 tptt -133.74 134.36 42.9 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.089 0.956 . . . . 73.04 108.518 174.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.98 -29.67 70.61 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 124.2 1.0 . . . . 62.01 112.066 -175.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -59.71 -50.71 72.78 Favored 'General case' 0 N--CA 1.478 0.961 0 C-N-CA 123.978 0.911 . . . . 72.44 110.278 175.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -67.6 -38.92 84.67 Favored 'General case' 0 N--CA 1.468 0.427 0 CA-C-N 114.631 -1.168 . . . . 61.1 110.465 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.486 ' HB2' ' HD1' ' A' ' 27' ' ' PHE . . . -58.37 -39.56 79.91 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 123.728 0.811 . . . . 72.23 111.375 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -66.77 -26.97 67.22 Favored 'General case' 0 CA--C 1.543 0.697 0 O-C-N 123.096 0.247 . . . . 72.34 111.554 177.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.408 ' HG2' ' HE2' ' A' ' 39' ' ' LYS . 26.4 tt0 -76.5 -28.97 56.63 Favored 'General case' 0 CA--C 1.551 0.987 0 O-C-N 122.274 -0.266 . . . . 74.4 110.917 170.683 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD13 ' HD2' ' A' ' 39' ' ' LYS . 3.1 mm? -67.74 -31.26 71.06 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.628 -0.67 . . . . 73.14 110.65 169.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.7 tp -61.52 -45.49 93.98 Favored 'General case' 0 N--CA 1.48 1.073 0 C-N-CA 123.363 0.665 . . . . 61.01 109.414 168.369 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -59.19 -41.93 89.67 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 124.359 1.064 . . . . 73.21 110.719 178.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.562 ' HD2' HD13 ' A' ' 36' ' ' LEU . 68.4 mttm -74.09 -56.76 4.53 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.041 0.536 . . . . 73.43 111.355 -176.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 57.7 t -64.16 -40.8 90.35 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.142 0 C-N-CA 123.706 0.802 . . . . 61.11 111.884 -171.785 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.488 ' HA ' HD11 ' A' ' 84' ' ' ILE . . . -68.4 -32.67 72.89 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 111.945 0.35 . . . . 50.33 111.945 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.4 mm-40 -75.27 -38.07 60.62 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 122.485 0.314 . . . . 65.42 111.076 174.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.492 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 75.1 mmtt -65.49 -35.4 80.77 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 122.877 0.471 . . . . 75.41 110.323 178.537 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -75.59 -40.31 56.71 Favored 'General case' 0 N--CA 1.471 0.611 0 C-N-CA 123.863 0.865 . . . . 73.21 109.87 177.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.596 ' HA ' HD12 ' A' ' 48' ' ' ILE . . . -63.05 -29.37 70.76 Favored 'General case' 0 N--CA 1.486 1.327 0 C-N-CA 123.193 0.597 . . . . 75.23 111.575 177.358 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -67.02 -38.72 86.44 Favored 'General case' 0 N--CA 1.483 1.212 0 C-N-CA 124.89 1.276 . . . . 75.31 110.936 173.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.82 ' HG3' HG21 ' A' ' 12' ' ' ILE . 46.8 mmtm -70.03 -38.48 75.88 Favored 'General case' 0 N--CA 1.477 0.904 0 CA-C-N 115.523 -0.762 . . . . 73.43 110.428 179.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.765 HD13 HD11 ' A' ' 88' ' ' LEU . 42.1 mt -67.33 -35.91 75.09 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 O-C-N 124.757 1.286 . . . . 72.12 110.354 175.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.586 ' HA ' ' HE3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -61.35 -41.7 97.49 Favored 'General case' 0 C--N 1.352 0.712 0 CA-C-N 115.274 -0.875 . . . . 61.2 110.137 179.272 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -73.78 -46.97 42.28 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 123.493 0.717 . . . . 73.04 110.782 174.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . 0.433 ' HB3' ' SG ' ' A' ' 14' ' ' CYS . 9.1 tp-100 -163.85 114.11 1.3 Allowed 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 124.144 0.978 . . . . 74.42 109.193 -175.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.475 ' HA2' HG23 ' A' ' 48' ' ' ILE . . . -54.68 117.09 7.38 Favored Glycine 0 C--N 1.351 1.375 0 C-N-CA 123.602 0.62 . . . . 24.4 114.58 -172.61 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.437 ' SG ' HD12 ' A' ' 108' ' ' LEU . 30.0 p -69.21 121.42 16.76 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 109.807 -0.442 . . . . 62.45 109.807 176.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -86.23 -25.36 25.63 Favored 'General case' 0 N--CA 1.482 1.15 0 C-N-CA 123.667 0.787 . . . . 72.42 111.464 -174.808 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -157.56 115.27 3.08 Favored 'General case' 0 C--O 1.219 -0.534 0 N-CA-C 108.22 -1.029 . . . . 72.22 108.22 -174.15 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 58.1 t -107.33 147.06 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 N-CA-C 107.552 -1.277 . . . . 72.35 107.552 -177.534 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 97.6 mttt -128.76 114.59 16.77 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 109.63 -0.507 . . . . 72.43 109.63 -176.778 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 87.0 mt -101.93 115.64 44.12 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 N-CA-C 107.722 -1.214 . . . . 61.34 107.722 175.205 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 97.8 mtt180 -110.85 142.88 42.27 Favored 'General case' 0 N--CA 1.474 0.766 0 N-CA-C 108.157 -1.053 . . . . 73.43 108.157 175.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.48 ' HD1' HG12 ' A' ' 8' ' ' VAL . 48.3 t80 -154.85 140.69 18.18 Favored 'General case' 0 CA--C 1.537 0.476 0 C-N-CA 123.309 0.643 . . . . 75.24 109.705 -173.39 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -90.93 130.48 36.86 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 123.257 0.623 . . . . 73.33 110.049 176.539 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . 0.434 ' HD3' ' HG3' ' A' ' 70' ' ' ARG . 1.0 OUTLIER -122.49 -30.06 3.99 Favored 'General case' 0 CA--C 1.555 1.143 0 C-N-CA 124.307 1.043 . . . . 71.12 109.809 -169.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.673 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 61.8 tttp -70.47 99.13 1.55 Allowed 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.976 -0.453 . . . . 72.12 110.073 178.07 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 142.94 -24.15 2.27 Favored Glycine 0 N--CA 1.474 1.225 0 CA-C-N 116.267 -0.424 . . . . 62.4 113.863 176.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.8 pp -96.65 -177.1 3.8 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 123.534 0.733 . . . . 74.22 112.022 -176.658 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -74.23 151.57 39.91 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 124.265 1.026 . . . . 73.42 110.034 177.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -68.37 -20.37 64.7 Favored 'General case' 0 N--CA 1.49 1.526 0 CA-C-O 121.085 0.469 . . . . 62.35 110.961 171.812 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.434 ' O ' ' HG2' ' A' ' 72' ' ' LYS . 14.6 t70 -66.87 -51.44 55.49 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.182 -0.917 . . . . 73.21 108.742 168.703 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -60.83 -35.34 76.27 Favored 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 123.8 0.84 . . . . 71.2 111.823 178.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.434 ' HG3' ' HD3' ' A' ' 62' ' ' LYS . 8.0 tmm_? -61.37 -44.83 96.51 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 124.562 1.145 . . . . 64.4 110.086 175.5 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 23.2 tptm -72.07 -38.96 69.32 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 124.279 1.032 . . . . 52.11 112.229 -175.418 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.434 ' HG2' ' O ' ' A' ' 68' ' ' ASP . 31.9 mmtp -70.75 -40.59 72.6 Favored 'General case' 0 N--CA 1.477 0.923 0 C-N-CA 122.767 0.427 . . . . 71.52 110.259 -178.48 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -72.56 -29.47 63.58 Favored 'General case' 0 N--CA 1.478 0.925 0 C-N-CA 123.681 0.792 . . . . 64.53 111.098 176.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.452 ' HA ' ' CE2' ' A' ' 102' ' ' PHE . 14.9 tmtt? -62.08 -46.59 88.41 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.623 0.769 . . . . 73.0 109.636 174.397 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . 0.472 ' O ' ' HG2' ' A' ' 79' ' ' GLU . 40.9 ttmt -69.71 -38.05 76.78 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.453 -0.794 . . . . 74.41 110.581 176.255 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 88.5 t90 -59.16 -47.89 83.64 Favored 'General case' 0 N--CA 1.483 1.179 0 C-N-CA 123.274 0.63 . . . . 73.43 111.566 -176.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -60.51 -30.66 69.86 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.271 0.629 . . . . 61.22 111.556 178.011 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 96.0 mt -76.36 -34.2 58.93 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 123.909 0.884 . . . . 73.33 111.306 174.122 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.472 ' HG2' ' O ' ' A' ' 75' ' ' LYS . 10.1 mm-40 -64.87 -46.51 81.53 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 122.726 0.41 . . . . 73.41 109.93 179.157 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 93.9 t -59.92 -44.69 94.98 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 C-N-CA 124.303 1.041 . . . . 74.35 109.921 174.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.62 -48.83 79.13 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.007 -0.997 . . . . 62.14 112.447 -179.091 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -76.36 -29.62 57.26 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 123.774 0.83 . . . . 64.35 111.038 -173.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.444 ' HD2' ' HB1' ' A' ' 41' ' ' ALA . 7.5 tmtm? -62.49 -51.8 66.02 Favored 'General case' 0 N--CA 1.481 1.095 0 N-CA-C 108.92 -0.77 . . . . 71.21 108.92 176.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . 0.488 HD11 ' HA ' ' A' ' 41' ' ' ALA . 70.8 mt -73.93 -37.9 48.75 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.977 0 CA-C-N 115.067 -0.969 . . . . 72.24 110.459 -175.091 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -65.1 -31.33 72.48 Favored 'General case' 0 N--CA 1.484 1.23 0 C-N-CA 122.691 0.396 . . . . 41.11 111.173 176.171 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 65.7 t30 -76.0 -36.94 58.98 Favored 'General case' 0 N--CA 1.487 1.414 0 C-N-CA 123.532 0.733 . . . . 55.33 109.919 176.598 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -71.61 -38.37 70.82 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 114.647 -1.16 . . . . 71.45 110.64 -173.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.765 HD11 HD13 ' A' ' 48' ' ' ILE . 32.3 mt -92.71 -25.1 18.38 Favored 'General case' 0 N--CA 1.48 1.069 0 CA-C-N 115.524 -0.762 . . . . 75.24 112.001 -178.097 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 78.47 37.75 26.64 Favored Glycine 0 C--N 1.342 0.87 0 N-CA-C 111.513 -0.635 . . . . 70.53 111.513 -170.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . 0.42 ' HB1' ' HA ' ' A' ' 108' ' ' LEU . . . -91.89 -165.4 1.34 Allowed 'General case' 0 CA--C 1.551 0.991 0 C-N-CA 124.46 1.104 . . . . 74.12 110.329 178.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -85.23 -98.28 0.06 Allowed 'General case' 0 CA--C 1.557 1.223 0 C-N-CA 123.645 0.778 . . . . 75.22 111.22 -177.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . . . . . . . . . 23.2 mm-40 -159.09 -162.7 1.1 Allowed 'General case' 0 N--CA 1.488 1.428 0 C-N-CA 125.028 1.331 . . . . 74.13 109.031 -171.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 62.2 p -122.11 141.37 51.48 Favored 'General case' 0 C--N 1.349 0.558 0 C-N-CA 123.9 0.88 . . . . 74.12 110.486 174.304 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 9.3 t -93.48 128.55 39.63 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 108.89 -0.781 . . . . 73.14 108.89 172.784 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . . . . . . . . . 38.5 p -104.01 131.66 51.04 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.589 0.756 . . . . 74.44 110.619 -173.775 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 30.1 m -118.71 112.36 19.67 Favored 'General case' 0 C--O 1.239 0.543 0 N-CA-C 108.194 -1.039 . . . . 73.44 108.194 172.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 9.6 t -102.1 135.45 43.66 Favored 'General case' 0 C--O 1.244 0.81 0 N-CA-C 108.856 -0.794 . . . . 54.41 108.856 178.32 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.8 t70 -144.88 159.58 42.67 Favored 'General case' 0 C--O 1.238 0.454 0 N-CA-C 108.817 -0.808 . . . . 75.24 108.817 -178.009 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -58.88 -25.97 59.97 Favored Glycine 0 C--N 1.347 1.156 0 O-C-N 124.07 0.856 . . . . 41.34 114.121 179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.673 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 25.3 t70 -109.46 -68.09 0.94 Allowed 'General case' 0 CA--C 1.541 0.619 0 C-N-CA 123.262 0.625 . . . . 74.12 110.524 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 58.6 m -102.3 121.17 41.75 Favored 'General case' 0 N--CA 1.483 1.191 0 CA-C-O 121.382 0.611 . . . . 44.24 111.41 -170.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.452 ' CE2' ' HA ' ' A' ' 74' ' ' LYS . 60.0 t80 -93.88 110.51 22.17 Favored 'General case' 0 CA--C 1.547 0.864 0 N-CA-C 108.53 -0.915 . . . . 75.41 108.53 169.62 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 34.8 tt0 -124.21 116.91 23.46 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 123.442 0.697 . . . . 73.04 110.664 -174.601 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . . . . . . . . . 95.1 t -114.96 111.27 35.18 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.692 1.197 . . . . 63.31 109.83 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -95.76 121.9 37.97 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 109.818 -0.438 . . . . 45.03 109.818 178.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.472 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 18.2 t -97.19 107.16 19.53 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 N-CA-C 108.915 -0.772 . . . . 61.52 108.915 -175.357 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . . . . . . . . . 40.9 mm -91.77 102.52 13.61 Favored 'Isoleucine or valine' 0 C--O 1.243 0.724 0 CA-C-O 121.26 0.552 . . . . 75.21 109.987 -172.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.437 HD12 ' SG ' ' A' ' 53' ' ' CYS . 21.6 mt -109.29 98.88 8.23 Favored 'General case' 0 CA--C 1.533 0.324 0 CA-C-N 115.361 -0.836 . . . . 65.41 109.286 -179.359 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . . . . . . . . . 7.0 pt-20 -102.4 103.61 14.03 Favored 'General case' 0 N--CA 1.474 0.737 0 N-CA-C 108.923 -0.769 . . . . 73.23 108.923 178.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -104.53 129.39 52.58 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 123.249 0.62 . . . . 73.4 110.403 -178.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.01 -9.34 58.24 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 122.922 0.489 . . . . 71.22 110.681 172.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 97.0 m-70 -68.27 108.56 3.24 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 123.551 0.74 . . . . 74.32 110.148 167.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 49.3 p-80 -146.84 114.02 6.22 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.688 0.795 . . . . 60.32 109.296 175.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 22.4 t-160 -88.35 57.27 4.17 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.825 -0.806 . . . . 65.44 108.825 176.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -167.53 100.4 0.49 Allowed 'General case' 0 C--N 1.346 0.417 0 N-CA-C 108.551 -0.907 . . . . 63.23 108.551 -176.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 45.9 t60 -74.05 145.46 44.46 Favored 'General case' 0 N--CA 1.477 0.885 0 N-CA-C 109.126 -0.694 . . . . 73.43 109.126 176.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 28.6 p80 . . . . . 0 C--O 1.253 1.262 0 C-N-CA 122.984 0.514 . . . . 71.34 110.282 -175.518 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.0 mmt . . . . . 0 N--CA 1.482 1.13 0 N-CA-C 110.012 -0.366 . . . . 74.34 110.012 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -60.16 139.64 57.41 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 123.674 0.789 . . . . 63.2 112.229 -176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -86.08 47.22 3.73 Favored Glycine 0 C--N 1.349 1.279 0 O-C-N 123.503 0.502 . . . . 44.35 112.888 179.058 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -71.91 -45.51 60.96 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.456 0.703 . . . . 73.13 109.967 178.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 16.7 mm-40 -79.58 157.48 27.34 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-N 115.435 -0.802 . . . . 71.24 109.869 170.463 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.539 HD12 ' HB3' ' A' ' 27' ' ' PHE . 50.4 mt -89.2 102.04 14.7 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 122.986 0.514 . . . . 61.44 109.934 -173.733 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -77.35 122.55 25.3 Favored 'General case' 0 N--CA 1.474 0.75 0 N-CA-C 109.974 -0.38 . . . . 74.0 109.974 -179.536 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' VAL . . . . . 0.698 HG21 ' HG ' ' A' ' 25' ' ' LEU . 3.7 m -107.79 134.25 50.16 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 N-CA-C 108.472 -0.936 . . . . 75.33 108.472 174.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 44.1 mt-10 -115.82 95.38 5.09 Favored 'General case' 0 C--O 1.24 0.596 0 N-CA-C 107.663 -1.236 . . . . 73.24 107.663 166.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . 0.424 HG21 HG13 ' A' ' 40' ' ' VAL . 42.4 mm -92.42 111.62 24.63 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.441 0 N-CA-C 106.742 -1.577 . . . . 63.34 106.742 176.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.402 ' HA ' ' O ' ' A' ' 21' ' ' THR . 56.4 mttp -108.62 113.2 25.99 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 123.472 0.709 . . . . 53.42 109.868 -177.481 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 31.4 mm -97.47 111.87 28.27 Favored 'Isoleucine or valine' 0 C--O 1.239 0.519 0 N-CA-C 107.228 -1.397 . . . . 75.31 107.228 171.795 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -89.35 99.43 12.42 Favored 'General case' 0 C--N 1.345 0.382 0 N-CA-C 108.223 -1.029 . . . . 71.22 108.223 -173.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 29.9 p -95.54 39.27 1.13 Allowed 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.866 0.866 . . . . 64.5 109.505 177.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 73.78 11.98 80.83 Favored Glycine 0 C--N 1.355 1.62 0 CA-C-N 115.662 -0.699 . . . . 64.43 112.3 -173.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . 0.643 ' HB2' ' HB3' ' A' ' 19' ' ' LYS . 18.9 p-10 -86.17 89.23 7.77 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.644 0.778 . . . . 73.34 110.591 -172.61 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -77.44 -39.69 45.96 Favored 'General case' 0 N--CA 1.475 0.787 0 CA-C-N 115.542 -0.753 . . . . 71.03 109.852 174.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -102.84 38.27 1.77 Allowed 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 124.392 1.077 . . . . 54.32 110.837 -176.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.643 ' HB3' ' HB2' ' A' ' 16' ' ' ASN . 22.1 tptm -155.9 125.83 6.5 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 122.97 0.508 . . . . 73.24 109.678 173.548 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -84.25 119.41 25.01 Favored 'General case' 0 CA--C 1.548 0.873 0 CA-C-O 121.597 0.713 . . . . 73.41 109.297 173.035 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 11' ' ' LYS . 94.9 m -115.51 106.64 14.18 Favored 'General case' 0 N--CA 1.463 0.223 0 N-CA-C 107.781 -1.192 . . . . 54.2 107.781 175.158 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 17.0 p -134.27 133.35 40.68 Favored 'General case' 0 C--O 1.238 0.484 0 C-N-CA 123.743 0.817 . . . . 73.21 108.817 177.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' TYR . . . . . 0.412 ' HB2' ' HB ' ' A' ' 10' ' ' ILE . 92.3 m-85 -103.27 125.27 49.83 Favored 'General case' 0 C--O 1.234 0.251 0 N-CA-C 106.71 -1.589 . . . . 63.02 106.71 174.651 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 11.8 m-20 -105.05 119.47 39.11 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 123.601 0.76 . . . . 73.05 109.147 -175.504 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.698 ' HG ' HG21 ' A' ' 8' ' ' VAL . 4.3 pp -146.86 167.62 23.48 Favored 'General case' 0 C--O 1.241 0.623 0 N-CA-C 108.182 -1.044 . . . . 73.55 108.182 175.815 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 78.8 m-85 -134.33 122.67 22.97 Favored 'General case' 0 C--O 1.236 0.384 0 C-N-CA 122.81 0.444 . . . . 70.52 109.805 -176.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.539 ' HB3' HD12 ' A' ' 6' ' ' LEU . 32.3 t80 -72.7 97.74 2.24 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.402 -0.962 . . . . 70.25 108.402 170.712 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 15.5 m -87.86 -33.79 18.43 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.171 -0.922 . . . . 62.42 109.79 170.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -164.72 155.38 14.5 Favored 'General case' 0 CA--C 1.544 0.719 0 CA-C-N 114.772 -1.104 . . . . 63.24 108.421 -175.428 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -65.63 -36.02 82.5 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 123.427 0.691 . . . . 53.4 112.167 -176.482 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -61.25 -44.43 97.26 Favored 'General case' 0 N--CA 1.483 1.219 0 C-N-CA 123.56 0.744 . . . . 74.24 110.567 176.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.2 mt-10 -67.94 -39.51 83.43 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 114.86 -1.064 . . . . 51.11 110.846 178.308 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -60.37 -34.98 74.65 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.266 1.027 . . . . 72.5 111.828 -178.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -59.66 -36.66 76.88 Favored 'General case' 0 N--CA 1.484 1.253 0 C-N-CA 123.605 0.762 . . . . 73.01 111.688 179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLU . . . . . 0.463 ' HG2' ' HE3' ' A' ' 39' ' ' LYS . 32.7 tt0 -69.01 -49.43 57.75 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 123.205 0.602 . . . . 75.51 110.261 178.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.686 ' HB3' HD22 ' A' ' 25' ' ' LEU . 3.5 mm? -62.42 -32.21 73.02 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.848 0.859 . . . . 75.15 111.515 178.5 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.428 ' HB2' ' NE1' ' A' ' 76' ' ' TRP . 5.3 tt -62.52 -47.56 83.37 Favored 'General case' 0 N--CA 1.477 0.886 0 C-N-CA 125.153 1.381 . . . . 73.11 110.526 176.667 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -61.65 -46.63 88.93 Favored 'General case' 0 C--N 1.348 0.536 0 CA-C-N 115.02 -0.991 . . . . 62.34 110.531 178.551 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.463 ' HE3' ' HG2' ' A' ' 35' ' ' GLU . 99.5 mttt -58.87 -52.63 64.9 Favored 'General case' 0 C--N 1.352 0.712 0 O-C-N 124.015 0.822 . . . . 71.35 111.093 -178.259 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.424 HG13 HG21 ' A' ' 10' ' ' ILE . 18.2 t -56.21 -43.75 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 C-N-CA 123.472 0.709 . . . . 74.12 111.175 177.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -62.56 -39.87 95.02 Favored 'General case' 0 CA--C 1.54 0.588 0 O-C-N 123.988 0.805 . . . . 71.13 112.007 -178.173 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 53.4 mt-10 -75.66 -39.16 58.07 Favored 'General case' 0 N--CA 1.48 1.061 0 C-N-CA 123.496 0.718 . . . . 62.21 111.569 -179.69 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . 0.451 ' HG2' ' O ' ' A' ' 39' ' ' LYS . 73.0 mmtt -70.0 -30.22 67.48 Favored 'General case' 0 N--CA 1.479 1.018 0 C-N-CA 123.201 0.6 . . . . 72.44 110.438 179.55 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.431 ' O ' HG12 ' A' ' 48' ' ' ILE . . . -73.17 -44.39 59.97 Favored 'General case' 0 N--CA 1.467 0.395 0 C-N-CA 123.895 0.878 . . . . 63.13 110.049 173.07 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -57.34 -28.36 63.05 Favored 'General case' 0 C--N 1.355 0.836 0 O-C-N 124.603 1.189 . . . . 52.33 111.737 -178.527 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' O ' ' HG3' ' A' ' 50' ' ' LYS . 73.2 m-20 -62.04 -45.99 91.13 Favored 'General case' 0 N--CA 1.477 0.924 0 C-N-CA 123.331 0.652 . . . . 71.21 111.395 175.043 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.56 ' HB3' ' SG ' ' A' ' 53' ' ' CYS . 0.8 OUTLIER -69.22 -34.31 74.66 Favored 'General case' 0 N--CA 1.485 1.302 0 C-N-CA 123.18 0.592 . . . . 74.25 110.198 178.895 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.589 HG21 ' HG ' ' A' ' 88' ' ' LEU . 15.3 mm -67.63 -35.29 72.44 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.969 0 N-CA-C 109.603 -0.517 . . . . 64.35 109.603 176.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -65.71 -46.49 78.77 Favored 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 123.954 0.902 . . . . 74.33 110.668 179.221 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HG3' ' O ' ' A' ' 46' ' ' ASP . 57.5 mtpt -69.92 -40.77 75.35 Favored 'General case' 0 N--CA 1.475 0.822 0 C-N-CA 123.496 0.718 . . . . 51.11 112.311 -173.729 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLN . . . . . . . . . . . . . 11.2 pt20 -139.36 -36.77 0.52 Allowed 'General case' 0 N--CA 1.484 1.233 0 N-CA-C 112.294 0.479 . . . . 75.21 112.294 -173.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 95.07 80.62 1.51 Allowed Glycine 0 C--N 1.343 0.919 0 N-CA-C 111.487 -0.645 . . . . 64.23 111.487 -173.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.56 ' SG ' ' HB3' ' A' ' 47' ' ' LYS . 50.9 m -71.85 99.53 2.21 Favored 'General case' 0 CA--C 1.542 0.67 0 N-CA-C 109.552 -0.536 . . . . 51.15 109.552 176.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 40.4 mtmt -75.3 -1.56 24.16 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 123.997 0.919 . . . . 74.12 112.412 -176.438 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 19.7 ptt180 -142.35 126.9 17.88 Favored 'General case' 0 CA--C 1.545 0.776 0 C-N-CA 123.909 0.884 . . . . 74.3 109.242 -179.436 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 106' ' ' VAL . 53.8 t -125.11 144.15 36.17 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 N-CA-C 106.886 -1.524 . . . . 73.45 106.886 174.746 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 60.3 mttm -125.67 112.47 16.16 Favored 'General case' 0 N--CA 1.474 0.732 0 N-CA-C 108.929 -0.767 . . . . 64.22 108.929 179.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 85.5 mt -102.81 115.63 45.1 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 N-CA-C 107.596 -1.261 . . . . 62.11 107.596 176.296 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ARG . . . . . . . . . . . . . 85.1 mtt180 -117.71 137.75 52.47 Favored 'General case' 0 N--CA 1.479 0.995 0 N-CA-C 108.278 -1.008 . . . . 74.34 108.278 175.666 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' PHE . . . . . 0.464 ' CD1' HG12 ' A' ' 8' ' ' VAL . 58.0 t80 -153.98 146.06 23.68 Favored 'General case' 0 CA--C 1.543 0.711 0 O-C-N 123.379 0.424 . . . . 72.1 110.82 -170.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 37.4 mt-10 -81.88 112.68 19.22 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 123.581 0.752 . . . . 74.11 109.846 176.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -136.25 95.62 3.22 Favored 'General case' 0 N--CA 1.475 0.803 0 N-CA-C 109.286 -0.635 . . . . 75.3 109.286 -177.201 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.686 ' HB2' ' HA ' ' A' ' 100' ' ' ASP . 55.0 tptt -168.34 -66.14 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.077 0 C-N-CA 124.307 1.043 . . . . 65.24 108.507 166.891 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -93.85 55.31 2.25 Favored Glycine 0 C--N 1.342 0.871 0 CA-C-N 115.274 -0.875 . . . . 63.5 111.759 178.219 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.636 ' H ' HD12 ' A' ' 65' ' ' LEU . 0.0 OUTLIER -92.9 -71.6 0.64 Allowed 'General case' 0 N--CA 1.475 0.777 0 N-CA-C 107.718 -1.216 . . . . 73.45 107.718 174.672 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 13.9 t70 167.92 158.52 0.04 OUTLIER 'General case' 0 CA--C 1.541 0.63 0 CA-C-N 112.91 -1.95 . . . . 64.02 107.074 -166.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -58.16 -54.54 45.83 Favored 'General case' 0 N--CA 1.482 1.162 0 C-N-CA 124.064 0.946 . . . . 65.13 110.596 179.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -72.44 -41.14 66.47 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 114.532 -1.213 . . . . 73.14 110.488 -175.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ALA . . . . . . . . . . . . . . . -62.68 -34.66 77.56 Favored 'General case' 0 C--N 1.356 0.882 0 C-N-CA 123.083 0.553 . . . . 72.42 111.922 -178.127 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.443 ' HB2' HD13 ' A' ' 65' ' ' LEU . 0.9 OUTLIER -59.76 -45.86 90.96 Favored 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 123.914 0.886 . . . . 65.33 111.267 175.258 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 53.0 tptt -70.81 -43.45 68.61 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.783 0.833 . . . . 74.24 110.643 -175.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.6 mmtm -71.44 -30.88 66.56 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 115.191 -0.913 . . . . 75.23 111.089 -179.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -66.69 -42.69 86.06 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 123.639 0.775 . . . . 74.42 111.101 179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 56.8 tttp -55.79 -49.74 72.36 Favored 'General case' 0 N--CA 1.474 0.734 0 CA-C-N 114.523 -1.217 . . . . 75.14 110.294 174.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LYS . . . . . . . . . . . . . 95.3 mttt -64.92 -43.41 92.88 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 115.013 -0.994 . . . . 72.53 110.959 179.572 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.428 ' NE1' ' HB2' ' A' ' 37' ' ' LEU . 80.2 t90 -63.32 -49.42 74.03 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.007 0.923 . . . . 43.21 110.97 -171.744 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -59.82 -31.55 69.83 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 124.022 0.826 . . . . 71.41 111.937 -179.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.403 HD21 HG21 ' A' ' 95' ' ' THR . 93.5 mt -75.11 -44.88 44.69 Favored 'General case' 0 C--O 1.217 -0.637 0 C-N-CA 123.52 0.728 . . . . 64.11 110.592 175.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.403 ' O ' ' HB2' ' A' ' 83' ' ' LYS . 13.6 mm-40 -69.61 -28.65 66.12 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.208 0.603 . . . . 53.42 111.866 -175.311 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.408 HG23 ' O ' ' A' ' 76' ' ' TRP . 72.7 t -65.47 -47.51 86.41 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.227 0 C-N-CA 123.624 0.769 . . . . 74.41 109.38 171.09 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -62.23 -41.27 98.27 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-N 114.778 -1.101 . . . . 74.13 111.216 178.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 44.3 m-80 -73.58 -27.51 61.34 Favored 'General case' 0 N--CA 1.47 0.534 0 C-N-CA 123.964 0.906 . . . . 72.42 111.003 179.724 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB2' ' O ' ' A' ' 79' ' ' GLU . 7.1 tmtt? -67.44 -52.84 34.75 Favored 'General case' 0 CA--C 1.549 0.919 0 N-CA-C 108.865 -0.791 . . . . 73.11 108.865 -179.114 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ILE . . . . . . . . . . . . . 36.8 mt -63.1 -41.0 91.19 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 CA-C-O 121.409 0.623 . . . . 73.11 109.61 178.183 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ALA . . . . . . . . . . . . . . . -63.91 -27.37 69.1 Favored 'General case' 0 CA--C 1.552 1.023 0 CA-C-N 115.046 -0.979 . . . . 74.21 112.12 176.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 20.0 t-20 -69.38 -42.47 75.13 Favored 'General case' 0 N--CA 1.484 1.268 0 C-N-CA 123.38 0.672 . . . . 72.03 110.757 -179.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.03 -50.78 37.9 Favored 'General case' 0 N--CA 1.481 1.089 0 CA-C-O 120.854 0.359 . . . . 71.2 110.935 176.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.589 ' HG ' HG21 ' A' ' 48' ' ' ILE . 3.8 mm? -81.07 -33.72 33.22 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.381 0.882 . . . . 73.34 113.381 -168.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 63.85 49.32 68.92 Favored Glycine 0 N--CA 1.468 0.796 0 O-C-N 123.538 0.524 . . . . 54.31 113.108 -178.039 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ALA . . . . . . . . . . . . . . . -83.15 -78.47 0.22 Allowed 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.234 0.613 . . . . 73.42 109.964 179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.1 ttmt -164.03 -90.07 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 123.153 0.581 . . . . 74.41 110.085 -177.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLN . . . . . 0.445 ' HG3' ' H ' ' A' ' 93' ' ' SER . 8.4 tp60 -174.38 177.1 2.28 Favored 'General case' 0 CA--C 1.55 0.949 0 C-N-CA 123.297 0.639 . . . . 60.31 109.689 -171.508 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.445 ' H ' ' HG3' ' A' ' 92' ' ' GLN . 45.6 p -104.68 143.89 32.47 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.028 0.931 . . . . 71.03 111.443 -178.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 61.6 m -94.69 118.85 32.38 Favored 'General case' 0 CA--C 1.542 0.668 0 N-CA-C 108.624 -0.88 . . . . 74.11 108.624 173.278 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' THR . . . . . 0.492 HG22 HG22 ' A' ' 104' ' ' VAL . 50.4 p -103.93 148.41 26.21 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.452 0.644 . . . . 73.51 111.378 -173.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 87.4 m -123.45 111.03 15.85 Favored 'General case' 0 C--O 1.244 0.798 0 C-N-CA 124.87 1.268 . . . . 74.31 107.983 173.054 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' THR . . . . . . . . . . . . . 10.5 t -100.26 148.34 24.75 Favored 'General case' 0 C--O 1.242 0.672 0 CA-C-N 115.498 -0.774 . . . . 73.31 109.605 178.748 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -158.97 167.57 29.01 Favored 'General case' 0 C--O 1.246 0.874 0 N-CA-C 107.714 -1.217 . . . . 64.05 107.714 175.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . -54.03 -65.31 3.55 Favored Glycine 0 C--N 1.351 1.396 0 N-CA-C 111.647 -0.581 . . . . 64.31 111.647 173.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASP . . . . . 0.686 ' HA ' ' HB2' ' A' ' 63' ' ' LYS . 23.2 t70 -92.11 144.45 25.42 Favored 'General case' 0 CA--C 1.545 0.768 0 N-CA-C 108.881 -0.785 . . . . 63.43 108.881 173.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 32.1 m 67.61 148.7 0.06 Allowed 'General case' 0 N--CA 1.493 1.695 0 C-N-CA 124.587 1.155 . . . . 61.22 112.776 178.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -140.61 125.35 18.09 Favored 'General case' 0 N--CA 1.475 0.822 0 N-CA-C 108.219 -1.03 . . . . 75.25 108.219 175.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 42.9 tt0 -129.18 124.59 35.0 Favored 'General case' 0 N--CA 1.48 1.05 0 C-N-CA 123.338 0.655 . . . . 72.21 110.277 -176.21 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' VAL . . . . . 0.492 HG22 HG22 ' A' ' 95' ' ' THR . 84.4 t -120.35 108.37 22.95 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.473 0 C-N-CA 124.082 0.953 . . . . 75.5 109.097 179.364 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -94.35 114.94 27.08 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 108.613 -0.884 . . . . 73.14 108.613 174.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' VAL . . . . . 0.622 ' HB ' ' HB ' ' A' ' 56' ' ' VAL . 14.3 t -96.91 105.44 17.13 Favored 'Isoleucine or valine' 0 C--O 1.236 0.359 0 N-CA-C 107.927 -1.138 . . . . 53.31 107.927 -174.264 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ILE . . . . . 0.42 HG22 ' HG3' ' A' ' 109' ' ' GLU . 39.8 mm -94.99 97.39 6.78 Favored 'Isoleucine or valine' 0 C--O 1.241 0.657 0 N-CA-C 108.141 -1.059 . . . . 64.11 108.141 -177.268 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.7 mt -87.24 98.62 11.43 Favored 'General case' 0 C--N 1.345 0.374 0 CA-C-N 115.483 -0.781 . . . . 71.53 109.627 -177.744 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLU . . . . . 0.42 ' HG3' HG22 ' A' ' 107' ' ' ILE . 49.0 mt-10 -97.17 88.56 4.5 Favored 'General case' 0 C--O 1.238 0.455 0 CA-C-O 121.666 0.746 . . . . 64.32 109.886 -177.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' LEU . . . . . 0.522 HD21 ' HB3' ' A' ' 88' ' ' LEU . 5.2 mp -96.6 32.11 2.12 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 115.027 -0.988 . . . . 54.11 108.92 169.337 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -81.52 70.04 8.31 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 122.631 1.205 . . . . 72.01 110.348 -174.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' HIS . . . . . . . . . . . . . 39.0 m80 -131.38 43.39 3.08 Favored 'General case' 0 N--CA 1.465 0.276 0 N-CA-C 105.933 -1.877 . . . . 74.43 105.933 173.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' HIS . . . . . . . . . . . . . 39.5 t60 -95.59 25.26 4.63 Favored 'General case' 0 CA--C 1.549 0.91 0 CA-C-N 113.742 -1.572 . . . . 75.11 109.8 -175.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -72.42 141.29 48.66 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 123.555 0.742 . . . . 64.0 109.146 177.506 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . . . . . . . . . 40.6 m80 -60.31 123.94 18.79 Favored 'General case' 0 N--CA 1.481 1.118 0 C-N-CA 123.525 0.73 . . . . 72.34 111.546 -175.075 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' HIS . . . . . . . . . . . . . 59.0 t60 -67.3 134.61 51.89 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 123.885 0.874 . . . . 72.23 111.913 -177.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 24.3 p-80 . . . . . 0 C--O 1.25 1.101 0 C-N-CA 125.197 1.399 . . . . 75.23 107.809 167.801 . . . . . . . . 0 0 . 1 stop_ save_