data_1r9i_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 1r9i _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? . . . . . 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 120.552 0.215 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.418 ' N ' HD11 ' A' ' 3' ' ' LEU . 4.7 mp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.3 p90 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.422 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 8.2 mtpm? . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HZ3' HH22 ' A' ' 12' ' ' ARG . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.491 HH22 ' HZ3' ' A' ' 9' ' ' LYS . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.3 m170 . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' A' ' 16' ' ' CYS . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 121.561 0.696 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 m170 . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.449 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 10.9 m170 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.497 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.445 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.529 0.204 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.496 ' HG ' ' H ' ' A' ' 16' ' ' CYS . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 11.6 m170 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 120.662 0.268 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.429 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.484 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.7 m170 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.964 0.411 . . . . 0.0 111.793 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.73 0.776 . . . . 0.0 111.469 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.2 m170 . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.425 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.7 m170 . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.487 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 . . . . . 0 N--CA 1.503 2.179 0 CA-C-O 120.807 0.337 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.9 m170 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.125 0.488 . . . . 0.0 111.825 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.429 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.5 pt? . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 . . . . . 0 N--CA 1.5 2.047 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 2.9 mptp? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 12.4 m170 . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.708 0.29 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.524 ' H ' HD11 ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.664 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . 0.408 ' H ' HD21 ' A' ' 3' ' ' LEU . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.9 tmtm? . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.465 0.174 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.437 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 m170 . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.074 0.464 . . . . 0.0 111.59 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.456 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 91.7 mtt-85 -86.56 46.2 1.33 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.79 1.306 . . . . 0.0 108.836 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.77 -132.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.457 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 2' ' ' ARG . 2.3 p90 -133.73 147.98 51.38 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -63.25 -34.48 77.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.505 1.128 . . . . 0.0 109.641 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.431 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 2.2 tmmm? -42.64 -48.67 5.52 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -82.05 163.97 21.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 123.748 0.655 . . . . 0.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.457 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m -85.65 -17.15 36.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.423 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 9.1 mpt_? -71.47 126.21 29.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 124.843 1.339 . . . . 0.0 108.578 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' N ' HD11 ' A' ' 3' ' ' LEU . 4.7 mp -56.08 -72.56 0.07 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.08 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -159.98 144.44 14.72 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.407 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -61.35 -39.71 91.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.692 1.245 . . . . 0.0 108.28 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.49 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.49 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -46.15 -52.84 11.49 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -81.83 144.19 31.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.705 0.628 . . . . 0.0 111.734 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m -71.16 -30.89 67.0 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -92.93 83.72 4.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 124.873 1.358 . . . . 0.0 112.094 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 ' N ' HD11 ' A' ' 3' ' ' LEU . 5.0 mp -80.66 -55.67 4.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -160.58 136.28 8.19 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.85 -36.61 83.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 124.367 1.042 . . . . 0.0 108.372 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -49.5 -48.86 47.71 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -82.09 135.99 35.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.028 0.83 . . . . 0.0 109.184 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m -74.07 -32.67 63.38 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.633 0.254 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -99.21 88.17 3.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.563 1.164 . . . . 0.0 110.071 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.434 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp -88.6 -67.58 0.82 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 40.3 p90 -160.36 138.89 10.25 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -63.69 -36.86 85.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.332 1.02 . . . . 0.0 109.464 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.444 ' N ' HD23 ' A' ' 18' ' ' HYP . 8.2 mtpm? -51.19 -46.47 62.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.444 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 -81.06 145.74 30.96 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.26 -21.83 36.05 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -91.0 64.26 5.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.888 1.368 . . . . 0.0 107.649 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.409 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? -59.5 -54.72 43.31 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.41 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -160.5 143.68 13.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.491 ' HZ3' HH22 ' A' ' 12' ' ' ARG . 0.8 OUTLIER -62.13 -38.17 87.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.722 1.264 . . . . 0.0 108.851 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.491 HH22 ' HZ3' ' A' ' 9' ' ' LYS . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.461 ' N ' HD23 ' A' ' 18' ' ' HYP . 28.6 mtpp -52.44 -42.89 64.54 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.461 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.437 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.3 m170 -79.54 152.02 30.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 123.745 0.653 . . . . 0.0 109.438 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -82.98 -26.2 31.52 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -82.06 81.02 8.16 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp -76.11 -117.02 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -146.0 141.47 27.72 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.71 -36.64 76.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 124.842 1.339 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.482 ' HG ' ' H ' ' A' ' 16' ' ' CYS . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.516 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -53.42 -46.61 69.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.516 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 -81.0 145.26 31.26 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.671 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.19 -24.7 30.0 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -104.86 41.21 1.36 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.945 1.403 . . . . 0.0 109.277 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.455 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.1 pt? -43.72 -46.77 7.7 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.923 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -160.4 137.37 9.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.38 -37.67 88.35 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.714 1.259 . . . . 0.0 109.0 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.447 ' N ' HD23 ' A' ' 18' ' ' HYP . 39.1 ttpt -51.59 -47.71 63.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.447 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -75.02 149.64 39.17 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m -92.74 -19.17 22.06 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 119.841 -0.123 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -71.37 101.95 2.51 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 124.752 1.283 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.449 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? -62.77 -54.87 32.45 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.185 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -160.44 140.78 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -62.62 -37.08 84.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.448 ' N ' HD23 ' A' ' 18' ' ' HYP . 48.2 mmtm -55.72 -46.27 77.77 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.448 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.409 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 10.9 m170 -82.21 143.69 31.21 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.409 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.19 -21.64 23.18 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -108.96 64.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.862 1.351 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.2 -76.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.497 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -160.43 141.93 12.37 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -62.03 -38.22 87.86 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.445 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -45.42 -45.72 13.0 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 -70.18 146.01 51.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 123.798 0.686 . . . . 0.0 111.484 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.88 -25.7 26.05 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.41 0.147 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -90.45 59.29 4.27 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.41 147.18 24.33 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 3.2 mptp? -64.62 -41.51 96.14 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.721 1.263 . . . . 0.0 110.595 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.496 ' HG ' ' H ' ' A' ' 16' ' ' CYS . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -51.26 -40.76 59.58 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 11.6 m170 -92.94 149.47 21.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.637 0.586 . . . . 0.0 110.594 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.02 -19.0 26.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.403 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 1.8 mpt_? -95.17 87.05 4.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.801 1.313 . . . . 0.0 110.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp -81.74 -70.44 0.54 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.429 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -160.59 136.27 8.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.23 -35.97 80.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.323 1.014 . . . . 0.0 108.468 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.484 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -44.75 -45.89 10.18 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.7 m170 -69.67 150.85 46.56 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.999 0.812 . . . . 0.0 111.793 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.435 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -88.19 -21.48 24.54 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.453 ' NH1' HH12 ' A' ' 20' ' ' ARG . 52.3 mtt180 -70.57 117.06 11.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.724 1.265 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.458 ' N ' HD21 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -42.3 -45.84 4.36 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.407 1.067 . . . . 0.0 111.469 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.48 133.76 6.72 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.94 96.52 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.462 ' N ' HD23 ' A' ' 18' ' ' HYP . 63.8 mttp -54.34 -44.52 72.18 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.462 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.2 m170 -72.99 151.51 41.75 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.453 HH12 ' NH1' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -92.33 -17.63 24.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.951 0.405 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -116.17 40.03 2.94 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.974 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.443 ' N ' HD11 ' A' ' 3' ' ' LEU . 5.1 mp -82.74 -121.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.158 -1.383 . . . . 0.0 108.169 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.47 151.77 19.31 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.01 -43.68 98.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.629 1.206 . . . . 0.0 108.445 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.469 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.469 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -45.94 -51.59 13.05 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -81.4 155.95 25.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.987 0.804 . . . . 0.0 112.832 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.403 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.48 -23.53 66.28 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.413 ' HD3' ' N ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -77.64 88.95 3.92 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.76 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.95 150.48 18.85 Favored 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.478 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -60.47 -49.5 77.31 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . 0.423 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' N ' HD23 ' A' ' 18' ' ' HYP . 58.1 mtpt -52.11 -46.54 65.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.426 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.7 m170 -77.58 145.7 36.67 Favored 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 120.026 -0.669 . . . . 0.0 109.61 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m -91.47 -19.63 22.62 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . 0.573 ' H ' ' NH1' ' A' ' 2' ' ' ARG . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 111.42 0.156 . . . . 0.0 111.42 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.573 ' NH1' ' H ' ' A' ' 1' ' ' PCA . 0.0 OUTLIER -119.51 50.29 1.27 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.018 1.449 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp -89.94 -112.84 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.458 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.408 ' O ' ' SG ' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -160.24 142.16 12.8 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -61.92 -38.68 89.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 124.609 1.193 . . . . 0.0 108.276 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.487 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.46 ' N ' HD23 ' A' ' 18' ' ' HYP . 60.6 mttp -52.96 -43.73 66.58 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.46 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.14 150.51 20.26 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.414 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' SG ' ' O ' ' A' ' 5' ' ' CYS . 75.3 m -87.48 -22.8 24.7 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -84.47 128.38 34.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 124.556 1.16 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.53 -107.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.4 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -160.07 133.77 7.12 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -58.49 -45.2 89.21 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.454 ' N ' HD23 ' A' ' 18' ' ' HYP . 4.6 mptp? -52.4 -41.75 63.44 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.454 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 10.9 m170 -73.63 153.49 40.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 123.833 0.708 . . . . 0.0 111.825 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.442 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m -127.38 -17.24 4.73 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -94.85 40.77 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.608 1.193 . . . . 0.0 108.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.429 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.5 pt? -91.62 -147.25 0.21 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.935 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . 0.428 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.99 146.77 19.24 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.05 -44.89 83.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 124.816 1.323 . . . . 0.0 110.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 10.5 tmtt? -51.48 -50.62 59.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.413 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 -95.28 145.05 25.36 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 123.605 0.566 . . . . 0.0 110.015 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.461 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m -115.89 -22.75 8.91 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.876 -0.107 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -122.44 63.62 0.95 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.427 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.7 mm? -94.75 -55.29 3.17 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -160.68 142.0 12.05 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . 0.445 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 2.9 mptp? -68.61 -35.27 77.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.331 1.02 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.414 ' HB2' ' NZ ' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -52.08 -42.66 63.38 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 12.4 m170 -75.57 148.4 38.89 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.525 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m -94.75 -19.43 20.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -135.91 47.41 2.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.787 1.305 . . . . 0.0 109.221 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.524 ' H ' HD11 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -95.27 -118.03 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.664 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . 0.408 ' H ' HD21 ' A' ' 3' ' ' LEU . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -160.13 149.1 17.34 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -33.96 74.4 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.514 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.494 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' N ' HD23 ' A' ' 18' ' ' HYP . 4.9 tmtm? -49.62 -54.39 18.67 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . 0.426 HD23 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -69.33 143.02 53.89 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.9 0.75 . . . . 0.0 110.813 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -82.0 -29.12 32.22 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -86.53 60.24 6.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 125.01 1.444 . . . . 0.0 109.25 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.61 -105.89 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.656 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.34 142.67 13.02 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -61.22 -40.43 93.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 124.78 1.3 . . . . 0.0 108.621 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.437 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -51.98 -44.57 64.09 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.5 m170 -82.53 150.77 26.78 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.59 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.445 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m -97.11 -18.49 19.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 2.2 tmmm? . . . . . 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 120.552 0.215 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.469 HD12 ' N ' ' A' ' 3' ' ' LEU . 4.7 mp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 20' ' ' ARG . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 3' ' ' LEU . 40.3 p90 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 8.2 mtpm? . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.7 m80 . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.482 ' SG ' ' C ' ' A' ' 10' ' ' SER . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 m80 . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 121.561 0.696 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 1.1 m80 . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.401 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.529 0.204 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 120.662 0.268 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.964 0.411 . . . . 0.0 111.793 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.73 0.776 . . . . 0.0 111.469 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.452 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.9 OUTLIER . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.515 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m80 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.565 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 m80 . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.619 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 . . . . . 0 N--CA 1.503 2.179 0 CA-C-O 120.807 0.337 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 1.5 m80 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.125 0.488 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 4' ' ' CYS . 1.5 pt? . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 10.5 tmtt? . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 . . . . . 0 N--CA 1.5 2.047 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 2.9 mptp? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.708 0.29 . . . . 0.0 111.525 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.664 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 4.9 tmtm? . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.465 0.174 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 14' ' ' ARG . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.5 m170 . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.074 0.464 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.456 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 91.7 mtt-85 -86.56 46.2 1.33 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.79 1.306 . . . . 0.0 108.836 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.77 -132.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 2' ' ' ARG . 2.3 p90 -133.73 147.98 51.38 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -63.25 -34.48 77.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.505 1.128 . . . . 0.0 109.641 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' NE ' ' HA ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 2.2 tmmm? -42.64 -48.67 5.52 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -82.05 163.97 21.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 123.748 0.655 . . . . 0.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m -85.65 -17.15 36.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 9.1 mpt_? -71.47 126.21 29.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 124.843 1.339 . . . . 0.0 108.578 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.7 mp -56.08 -72.56 0.07 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.08 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -159.98 144.44 14.72 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -61.35 -39.71 91.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.692 1.245 . . . . 0.0 108.28 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -46.15 -52.84 11.49 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 48.3 m80 -81.83 144.19 31.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.705 0.628 . . . . 0.0 111.734 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 20' ' ' ARG . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m -71.16 -30.89 67.0 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' HD3' ' N ' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -92.93 83.72 4.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 124.873 1.358 . . . . 0.0 112.094 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp -80.66 -55.67 4.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -160.58 136.28 8.19 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.85 -36.61 83.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 124.367 1.042 . . . . 0.0 108.372 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' HD22 ' A' ' 18' ' ' HYP . 75.3 mmtt -49.5 -48.86 47.71 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.417 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -82.09 135.99 35.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.028 0.83 . . . . 0.0 109.184 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m -74.07 -32.67 63.38 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.633 0.254 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -99.21 88.17 3.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.563 1.164 . . . . 0.0 110.071 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.0 mp -88.6 -67.58 0.82 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 3' ' ' LEU . 40.3 p90 -160.36 138.89 10.25 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -63.69 -36.86 85.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.332 1.02 . . . . 0.0 109.464 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' N ' HD22 ' A' ' 18' ' ' HYP . 8.2 mtpm? -51.19 -46.47 62.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.485 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 -81.06 145.74 30.96 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.26 -21.83 36.05 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -91.0 64.26 5.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.888 1.368 . . . . 0.0 107.649 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? -59.5 -54.72 43.31 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.41 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -160.5 143.68 13.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HYP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -62.13 -38.17 87.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.722 1.264 . . . . 0.0 108.851 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' N ' HD22 ' A' ' 18' ' ' HYP . 28.6 mtpp -52.44 -42.89 64.54 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.516 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.7 m80 -79.54 152.02 30.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 123.745 0.653 . . . . 0.0 109.438 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -82.98 -26.2 31.52 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -82.06 81.02 8.16 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp -76.11 -117.02 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -146.0 141.47 27.72 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HYP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.71 -36.64 76.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 124.842 1.339 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.482 ' SG ' ' C ' ' A' ' 10' ' ' SER . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' N ' HD22 ' A' ' 18' ' ' HYP . 23.4 tptm -53.42 -46.61 69.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.44 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 2.1 m80 -81.0 145.26 31.26 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.671 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.19 -24.7 30.0 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -104.86 41.21 1.36 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.945 1.403 . . . . 0.0 109.277 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -43.72 -46.77 7.7 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.923 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -160.4 137.37 9.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.38 -37.67 88.35 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.714 1.259 . . . . 0.0 109.0 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' HD22 ' A' ' 18' ' ' HYP . 39.1 ttpt -51.59 -47.71 63.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.49 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.445 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 1.1 m80 -75.02 149.64 39.17 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.895 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m -92.74 -19.17 22.06 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 119.841 -0.123 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -71.37 101.95 2.51 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 124.752 1.283 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' H ' ' CD2' ' A' ' 3' ' ' LEU . 1.1 pt? -62.77 -54.87 32.45 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.185 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.401 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -160.44 140.78 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -62.62 -37.08 84.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' N ' HD22 ' A' ' 18' ' ' HYP . 48.2 mmtm -55.72 -46.27 77.77 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.496 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.402 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.7 OUTLIER -82.21 143.69 31.21 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.19 -21.64 23.18 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -108.96 64.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.862 1.351 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.2 -76.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -160.43 141.93 12.37 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -62.03 -38.22 87.86 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -45.42 -45.72 13.0 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 -70.18 146.01 51.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 123.798 0.686 . . . . 0.0 111.484 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.88 -25.7 26.05 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.41 0.147 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -90.45 59.29 4.27 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.41 147.18 24.33 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 3.2 mptp? -64.62 -41.51 96.14 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.721 1.263 . . . . 0.0 110.595 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' N ' HD22 ' A' ' 18' ' ' HYP . 68.4 mttm -51.26 -40.76 59.58 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.426 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.1 m80 -92.94 149.47 21.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.637 0.586 . . . . 0.0 110.594 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.02 -19.0 26.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 1.8 mpt_? -95.17 87.05 4.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.801 1.313 . . . . 0.0 110.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp -81.74 -70.44 0.54 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -160.59 136.27 8.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.23 -35.97 80.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.323 1.014 . . . . 0.0 108.468 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -44.75 -45.89 10.18 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.3 OUTLIER -69.67 150.85 46.56 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.999 0.812 . . . . 0.0 111.793 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -88.19 -21.48 24.54 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.477 ' NH1' HH12 ' A' ' 20' ' ' ARG . 52.3 mtt180 -70.57 117.06 11.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.724 1.265 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -42.3 -45.84 4.36 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.407 1.067 . . . . 0.0 111.469 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.48 133.76 6.72 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.94 96.52 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' N ' HD22 ' A' ' 18' ' ' HYP . 63.8 mttp -54.34 -44.52 72.18 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.508 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.471 ' CD2' ' HD3' ' A' ' 2' ' ' ARG . 0.9 OUTLIER -72.99 151.51 41.75 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.102 179.952 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.477 HH12 ' NH1' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -92.33 -17.63 24.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.951 0.405 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -116.17 40.03 2.94 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.974 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 3' ' ' LEU . 5.1 mp -82.74 -121.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.158 -1.383 . . . . 0.0 108.169 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.47 151.77 19.31 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.01 -43.68 98.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.629 1.206 . . . . 0.0 108.445 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.515 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -45.94 -51.59 13.05 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -81.4 155.95 25.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.987 0.804 . . . . 0.0 112.832 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HD3' ' N ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.48 -23.53 66.28 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' HD3' ' N ' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -77.64 88.95 3.92 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.76 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.95 150.48 18.85 Favored 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HYP . . . . . 0.486 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.565 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -60.47 -49.5 77.31 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' HD22 ' A' ' 18' ' ' HYP . 58.1 mtpt -52.11 -46.54 65.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.467 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -77.58 145.7 36.67 Favored 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 120.026 -0.669 . . . . 0.0 109.61 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m -91.47 -19.63 22.62 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 111.42 0.156 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.502 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -119.51 50.29 1.27 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.018 1.449 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp -89.94 -112.84 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -160.24 142.16 12.8 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -61.92 -38.68 89.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 124.609 1.193 . . . . 0.0 108.276 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.619 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' HD22 ' A' ' 18' ' ' HYP . 60.6 mttp -52.96 -43.73 66.58 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.5 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.14 150.51 20.26 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.414 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -87.48 -22.8 24.7 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -84.47 128.38 34.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 124.556 1.16 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.53 -107.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -160.07 133.77 7.12 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -58.49 -45.2 89.21 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' HD22 ' A' ' 18' ' ' HYP . 4.6 mptp? -52.4 -41.75 63.44 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.507 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.418 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 1.5 m80 -73.63 153.49 40.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 123.833 0.708 . . . . 0.0 111.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m -127.38 -17.24 4.73 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -94.85 40.77 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.608 1.193 . . . . 0.0 108.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.565 HD23 ' H ' ' A' ' 3' ' ' LEU . 1.5 pt? -91.62 -147.25 0.21 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.935 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.99 146.77 19.24 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.05 -44.89 83.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 124.816 1.323 . . . . 0.0 110.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HD3' ' C ' ' A' ' 17' ' ' LYS . 10.5 tmtt? -51.48 -50.62 59.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.434 HD23 ' HB3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 -95.28 145.05 25.36 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 123.605 0.566 . . . . 0.0 110.015 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m -115.89 -22.75 8.91 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.876 -0.107 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -122.44 63.62 0.95 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.474 HD22 ' N ' ' A' ' 3' ' ' LEU . 1.7 mm? -94.75 -55.29 3.17 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -160.68 142.0 12.05 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' N ' ' HD2' ' A' ' 9' ' ' LYS . 2.9 mptp? -68.61 -35.27 77.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.331 1.02 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -52.08 -42.66 63.38 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.416 ' CE1' ' HA ' ' A' ' 16' ' ' CYS . 0.8 OUTLIER -75.57 148.4 38.89 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.525 -179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m -94.75 -19.43 20.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -135.91 47.41 2.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.787 1.305 . . . . 0.0 109.221 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.643 HD13 ' H ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -95.27 -118.03 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.664 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -160.13 149.1 17.34 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -33.96 74.4 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.514 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' HD22 ' A' ' 18' ' ' HYP . 4.9 tmtm? -49.62 -54.39 18.67 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HYP . . . . . 0.457 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -69.33 143.02 53.89 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.9 0.75 . . . . 0.0 110.813 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -82.0 -29.12 32.22 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -86.53 60.24 6.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 125.01 1.444 . . . . 0.0 109.25 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.61 -105.89 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.656 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.34 142.67 13.02 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -61.22 -40.43 93.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 124.78 1.3 . . . . 0.0 108.621 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 14' ' ' ARG . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -51.98 -44.57 64.09 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.5 m170 -82.53 150.77 26.78 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.59 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m -97.11 -18.49 19.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 2.3 p90 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm . . . . . 0 N--CA 1.491 1.622 0 N-CA-C 109.641 -0.504 . . . . 0.0 109.641 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 2.2 tmmm? . . . . . 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 120.552 0.215 . . . . 0.0 111.042 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m . . . . . 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.469 ' N ' HD12 ' A' ' 3' ' ' LEU . 4.7 mp . . . . . 0 N--CA 1.496 1.835 0 N-CA-C 108.08 -1.081 . . . . 0.0 108.08 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 108.28 -1.007 . . . . 0.0 108.28 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt . . . . . 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 . . . . . 0 N--CA 1.494 1.773 0 N-CA-C 111.734 0.272 . . . . 0.0 111.734 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 20' ' ' ARG . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 . . . . . 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.372 -0.973 . . . . 0.0 108.372 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt . . . . . 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 . . . . . 0 N--CA 1.493 1.698 0 N-CA-C 109.184 -0.672 . . . . 0.0 109.184 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp . . . . . 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 3' ' ' LEU . 40.3 p90 . . . . . 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.492 1.668 0 CA-C-O 118.883 -0.58 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.467 ' NZ ' ' HB3' ' A' ' 17' ' ' LYS . 8.2 mtpm? . . . . . 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 . . . . . 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m . . . . . 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.447 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 112.41 0.522 . . . . 0.0 112.41 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 . . . . . 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER . . . . . 0 N--CA 1.492 1.626 0 N-CA-C 108.851 -0.796 . . . . 0.0 108.851 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.6 mtpp . . . . . 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.3 m170 . . . . . 0 N--CA 1.5 2.046 0 N-CA-C 109.438 -0.579 . . . . 0.0 109.438 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m . . . . . 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp . . . . . 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 . . . . . 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 109.671 -0.492 . . . . 0.0 109.671 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.499 1.987 0 CA-C-O 121.561 0.696 . . . . 0.0 111.923 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm . . . . . 0 N--CA 1.489 1.49 0 N-CA-C 109.0 -0.741 . . . . 0.0 109.0 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 m170 . . . . . 0 N--CA 1.5 2.026 0 N-CA-C 109.895 -0.409 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m . . . . . 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.44 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? . . . . . 0 N--CA 1.493 1.694 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 . . . . . 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 118.81 -0.614 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 48.2 mmtm . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 . . . . . 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m . . . . . 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt . . . . . 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 . . . . . 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 . . . . . 0 N--CA 1.496 1.859 0 CA-C-O 120.529 0.204 . . . . 0.0 111.484 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m . . . . . 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt . . . . . 0 N--CA 1.499 1.977 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 3.2 mptp? . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 119.351 -0.357 . . . . 0.0 110.595 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 68.4 mttm . . . . . 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.6 m170 . . . . . 0 N--CA 1.502 2.154 0 CA-C-O 120.662 0.268 . . . . 0.0 110.594 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m . . . . . 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.493 1.689 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.7 m170 . . . . . 0 N--CA 1.496 1.851 0 CA-C-O 120.964 0.411 . . . . 0.0 111.793 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m . . . . . 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.0 OUTLIER . . . . . 0 N--CA 1.499 1.995 0 CA-C-O 121.73 0.776 . . . . 0.0 111.469 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 63.8 mttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.2 m170 . . . . . 0 N--CA 1.499 2.007 0 N-CA-C 110.102 -0.332 . . . . 0.0 110.102 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.473 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m . . . . . 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.1 mp . . . . . 0 N--CA 1.492 1.667 0 N-CA-C 108.169 -1.049 . . . . 0.0 108.169 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt . . . . . 0 N--CA 1.494 1.73 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.515 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 . . . . . 0 N--CA 1.495 1.776 0 N-CA-C 112.832 0.679 . . . . 0.0 112.832 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m . . . . . 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt . . . . . 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.565 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt . . . . . 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.7 m170 . . . . . 0 N--CA 1.499 2.009 0 N-CA-C 109.61 -0.515 . . . . 0.0 109.61 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m . . . . . 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp . . . . . 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 . . . . . 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.276 -1.009 . . . . 0.0 108.276 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.619 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.6 mttp . . . . . 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 . . . . . 0 N--CA 1.503 2.179 0 CA-C-O 120.807 0.337 . . . . 0.0 110.414 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m . . . . . 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp . . . . . 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 . . . . . 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? . . . . . 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.6 mptp? . . . . . 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 . . . . . 0 N--CA 1.499 2.017 0 CA-C-O 121.125 0.488 . . . . 0.0 111.825 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m . . . . . 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.443 ' HG ' ' N ' ' A' ' 4' ' ' CYS . 1.5 pt? . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 108.935 -0.765 . . . . 0.0 108.935 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER . . . . . 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 N--CA 1.488 1.45 0 CA-C-O 119.172 -0.442 . . . . 0.0 110.45 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.436 ' C ' ' HD3' ' A' ' 17' ' ' LYS . 10.5 tmtt? . . . . . 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 . . . . . 0 N--CA 1.5 2.047 0 N-CA-C 110.015 -0.365 . . . . 0.0 110.015 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m . . . . . 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.7 mm? . . . . . 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.474 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 2.9 mptp? . . . . . 0 N--CA 1.49 1.562 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.474 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 12.4 m170 . . . . . 0 N--CA 1.5 2.06 0 CA-C-O 120.708 0.29 . . . . 0.0 111.525 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m . . . . . 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.511 HD23 ' H ' ' A' ' 4' ' ' CYS . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.681 0 CA-C-O 118.017 -0.992 . . . . 0.0 110.664 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 . . . . . 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . 0.452 ' C ' ' HD3' ' A' ' 17' ' ' LYS . 4.9 tmtm? . . . . . 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 . . . . . 0 N--CA 1.496 1.854 0 CA-C-O 120.465 0.174 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 109.656 -0.498 . . . . 0.0 109.656 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 . . . . . 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 108.621 -0.881 . . . . 0.0 108.621 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 14' ' ' ARG . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm . . . . . 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.5 m170 . . . . . 0 N--CA 1.501 2.08 0 CA-C-O 121.074 0.464 . . . . 0.0 111.59 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m . . . . . 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.991 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.456 ' O ' ' CD2' ' A' ' 7' ' ' PHE . 91.7 mtt-85 -86.56 46.2 1.33 Allowed 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.79 1.306 . . . . 0.0 108.836 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.77 -132.12 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.859 0 N-CA-C 115.292 1.59 . . . . 0.0 115.292 -179.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.555 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 56.1 m -32.81 -54.24 0.36 Allowed 'General case' 0 N--CA 1.49 1.541 0 N-CA-C 116.678 2.103 . . . . 0.0 116.678 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 4.9 t -95.5 -18.1 20.92 Favored 'General case' 0 N--CA 1.494 1.773 0 C-N-CA 119.04 -1.064 . . . . 0.0 111.874 -179.191 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -69.16 -59.01 6.13 Favored Glycine 0 N--CA 1.496 2.653 0 N-CA-C 108.445 -1.862 . . . . 0.0 108.445 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 2' ' ' ARG . 2.3 p90 -133.73 147.98 51.38 Favored 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.412 0.625 . . . . 0.0 111.093 179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 36.8 mtmm -63.25 -34.48 77.77 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 124.505 1.128 . . . . 0.0 109.641 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.555 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 74.9 m -79.93 -24.84 40.77 Favored 'General case' 0 N--CA 1.488 1.436 0 C-N-CA 118.791 -1.164 . . . . 0.0 111.17 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.8 m -56.54 -12.71 1.88 Allowed 'General case' 0 N--CA 1.508 2.445 0 N-CA-C 115.252 1.575 . . . . 0.0 115.252 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.7 ttm105 -78.7 -6.78 56.72 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 123.582 0.551 . . . . 0.0 109.774 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -82.12 153.91 25.82 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-N 115.461 -0.79 . . . . 0.0 109.795 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.483 ' HA ' ' NE ' ' A' ' 14' ' ' ARG . 4.7 tpm_? -61.14 -45.14 95.87 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-N 114.486 -1.234 . . . . 0.0 110.238 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.18 -34.26 70.75 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-N 114.032 -1.44 . . . . 0.0 111.68 -179.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 80.7 m -79.56 -28.08 41.21 Favored 'General case' 0 N--CA 1.498 1.96 0 N-CA-C 115.576 1.695 . . . . 0.0 115.576 -179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.411 ' HD2' ' C ' ' A' ' 17' ' ' LYS . 2.2 tmmm? -42.64 -48.67 5.52 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.352 1.242 . . . . 0.0 114.352 -179.614 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 19.0 m170 -82.05 163.97 21.71 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 123.748 0.655 . . . . 0.0 111.042 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 28.2 mmt85 -64.74 -29.94 70.94 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 124.148 0.905 . . . . 0.0 111.411 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.531 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 76.3 m -85.65 -17.15 36.91 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 124.01 0.818 . . . . 0.0 110.042 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.855 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 9.1 mpt_? -71.47 126.21 29.05 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 124.843 1.339 . . . . 0.0 108.578 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.494 ' H ' HD12 ' A' ' 3' ' ' LEU . 4.7 mp -56.08 -72.56 0.07 Allowed 'General case' 0 N--CA 1.496 1.835 0 CA-C-N 114.511 -1.222 . . . . 0.0 108.08 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.507 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.5 m -37.39 -55.7 1.03 Allowed 'General case' 0 N--CA 1.498 1.938 0 O-C-N 125.052 1.47 . . . . 0.0 111.018 179.378 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -90.79 53.26 2.36 Favored 'General case' 0 N--CA 1.491 1.594 0 CA-C-N 113.776 -1.556 . . . . 0.0 108.733 -179.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -160.64 -38.19 0.02 OUTLIER Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.973 -1.251 . . . . 0.0 109.973 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.1 p90 -159.98 144.44 14.72 Favored 'General case' 0 N--CA 1.493 1.723 0 CA-C-O 121.178 0.514 . . . . 0.0 112.356 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.465 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 0.2 OUTLIER -61.35 -39.71 91.6 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 124.692 1.245 . . . . 0.0 108.28 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.532 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.3 m -80.29 -41.38 25.05 Favored 'General case' 0 N--CA 1.484 1.262 0 C-N-CA 118.601 -1.24 . . . . 0.0 108.186 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 64.2 m -55.83 -19.73 12.71 Favored 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 114.034 1.124 . . . . 0.0 114.034 179.727 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.404 HH11 ' HD2' ' A' ' 12' ' ' ARG . 24.9 ttt85 -81.74 11.46 4.81 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 124.008 0.817 . . . . 0.0 110.98 -179.759 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 92.1 p -112.09 165.35 12.21 Favored 'General case' 0 N--CA 1.501 2.104 0 CA-C-O 121.116 0.484 . . . . 0.0 109.757 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -69.5 -35.47 75.56 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-N 114.568 -1.196 . . . . 0.0 110.295 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 22.5 tt0 -61.26 -45.57 93.95 Favored 'General case' 0 N--CA 1.496 1.832 0 CA-C-N 115.152 -0.931 . . . . 0.0 110.716 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.532 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 67.3 m -83.01 -17.9 41.71 Favored 'General case' 0 N--CA 1.494 1.768 0 N-CA-C 114.082 1.142 . . . . 0.0 114.082 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -46.15 -52.84 11.49 Favored 'General case' 0 N--CA 1.498 1.961 0 N-CA-C 115.355 1.613 . . . . 0.0 115.355 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 38.3 m-70 -81.83 144.19 31.21 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 123.705 0.628 . . . . 0.0 111.734 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' A' ' 20' ' ' ARG . 64.5 mmt-85 -67.94 -19.31 64.96 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 124.835 1.335 . . . . 0.0 110.343 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.2 m -71.16 -30.89 67.0 Favored 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 108.332 -0.988 . . . . 0.0 108.332 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.959 0 N-CA-C 111.337 0.125 . . . . 0.0 111.337 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.412 ' N ' ' HD3' ' A' ' 2' ' ' ARG . 0.6 OUTLIER -92.93 83.72 4.79 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 124.873 1.358 . . . . 0.0 112.094 -179.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp -80.66 -55.67 4.68 Favored 'General case' 0 N--CA 1.498 1.937 0 N-CA-C 106.394 -1.706 . . . . 0.0 106.394 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.488 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 21.1 m -48.25 -61.54 1.94 Allowed 'General case' 0 N--CA 1.493 1.689 0 CA-C-N 112.96 -1.927 . . . . 0.0 111.569 179.646 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 15.8 t -71.5 -42.69 67.71 Favored 'General case' 0 N--CA 1.491 1.591 0 CA-C-N 113.96 -1.473 . . . . 0.0 111.759 -179.587 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.61 -36.35 70.88 Favored Glycine 0 N--CA 1.497 2.731 0 O-C-N 124.065 0.853 . . . . 0.0 111.23 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -160.58 136.28 8.19 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-N 114.792 -0.704 . . . . 0.0 112.585 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -62.85 -36.61 83.83 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 124.367 1.042 . . . . 0.0 108.372 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.489 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 74.1 m -82.98 -17.38 43.67 Favored 'General case' 0 N--CA 1.492 1.642 0 C-N-CA 117.475 -1.69 . . . . 0.0 111.449 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.5 m -59.14 -10.92 3.11 Favored 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 114.459 1.281 . . . . 0.0 114.459 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 76.8 ttt-85 -79.05 -12.51 60.02 Favored 'General case' 0 N--CA 1.496 1.86 0 C-N-CA 120.565 -0.454 . . . . 0.0 109.9 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -85.83 144.19 27.86 Favored 'General case' 0 N--CA 1.495 1.797 0 CA-C-N 115.597 -0.729 . . . . 0.0 110.405 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.9 tpt85 -55.39 -40.86 71.89 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 124.58 1.175 . . . . 0.0 110.642 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -57.4 -34.7 69.16 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 115.122 -0.945 . . . . 0.0 110.808 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.2 m -84.7 -23.19 29.48 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.417 ' N ' HD22 ' A' ' 18' ' ' HYP . 75.3 mmtt -49.5 -48.86 47.71 Favored 'General case' 0 N--CA 1.504 2.27 0 N-CA-C 114.291 1.219 . . . . 0.0 114.291 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.417 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -82.09 135.99 35.24 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 124.028 0.83 . . . . 0.0 109.184 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.1 mtt85 -69.44 -16.5 63.49 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 124.742 1.277 . . . . 0.0 109.401 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.7 m -74.07 -32.67 63.38 Favored 'General case' 0 N--CA 1.498 1.967 0 N-CA-C 107.669 -1.234 . . . . 0.0 107.669 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 120.633 0.254 . . . . 0.0 110.716 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -99.21 88.17 3.86 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 124.563 1.164 . . . . 0.0 110.071 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.0 mp -88.6 -67.58 0.82 Allowed 'General case' 0 N--CA 1.491 1.611 0 N-CA-C 107.114 -1.439 . . . . 0.0 107.114 179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 25.3 m -54.15 -58.59 6.78 Favored 'General case' 0 N--CA 1.49 1.538 0 CA-C-N 113.371 -1.741 . . . . 0.0 112.087 179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.1 t -72.79 -39.18 66.92 Favored 'General case' 0 N--CA 1.492 1.661 0 CA-C-N 114.109 -1.405 . . . . 0.0 111.85 -179.289 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.13 -36.16 93.07 Favored Glycine 0 N--CA 1.496 2.672 0 C-N-CA 120.342 -0.932 . . . . 0.0 110.877 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.4 ' CE2' ' HA ' ' A' ' 3' ' ' LEU . 40.3 p90 -160.36 138.89 10.25 Favored 'General case' 0 N--CA 1.494 1.739 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -63.69 -36.86 85.23 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 124.332 1.02 . . . . 0.0 109.464 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.536 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.4 m -86.74 -34.82 19.52 Favored 'General case' 0 N--CA 1.493 1.691 0 C-N-CA 118.069 -1.453 . . . . 0.0 109.083 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 52.8 t -46.88 -20.1 0.13 Allowed 'General case' 0 N--CA 1.506 2.349 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 41.4 ttm180 -79.61 -9.52 59.64 Favored 'General case' 0 N--CA 1.499 2.001 0 N-CA-C 113.264 0.839 . . . . 0.0 113.264 -179.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.7 p -88.68 154.16 20.52 Favored 'General case' 0 N--CA 1.499 2.01 0 N-CA-C 112.558 0.577 . . . . 0.0 112.558 -179.71 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -60.92 -32.66 72.14 Favored 'General case' 0 N--CA 1.496 1.859 0 CA-C-N 114.461 -1.245 . . . . 0.0 108.386 179.741 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -59.66 -39.26 83.84 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-N 114.598 -1.183 . . . . 0.0 108.625 179.823 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.536 ' SG ' ' O ' ' A' ' 10' ' ' SER . 72.3 m -81.03 -23.75 38.37 Favored 'General case' 0 N--CA 1.49 1.556 0 N-CA-C 114.889 1.44 . . . . 0.0 114.889 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.485 ' N ' HD22 ' A' ' 18' ' ' HYP . 8.2 mtpm? -51.19 -46.47 62.15 Favored 'General case' 0 N--CA 1.501 2.117 0 N-CA-C 114.544 1.313 . . . . 0.0 114.544 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.485 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.46 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.4 m170 -81.06 145.74 30.96 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 108.064 -1.088 . . . . 0.0 108.064 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -67.7 -18.33 64.88 Favored 'General case' 0 N--CA 1.5 2.034 0 C-N-CA 120.291 -0.564 . . . . 0.0 111.18 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.3 m -82.26 -21.83 36.05 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 123.98 0.8 . . . . 0.0 109.813 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.945 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -91.0 64.26 5.34 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 124.888 1.368 . . . . 0.0 107.649 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.484 ' CD2' ' H ' ' A' ' 3' ' ' LEU . 1.1 pt? -59.5 -54.72 43.31 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 114.884 -1.053 . . . . 0.0 112.41 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.423 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 29.3 m -52.02 -62.0 1.91 Allowed 'General case' 0 N--CA 1.495 1.782 0 C-N-CA 124.258 1.023 . . . . 0.0 111.462 179.788 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.4 m -60.04 -49.03 79.25 Favored 'General case' 0 N--CA 1.497 1.878 0 CA-C-N 114.161 -1.381 . . . . 0.0 112.151 -179.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -60.63 -34.19 85.22 Favored Glycine 0 N--CA 1.491 2.366 0 CA-C-N 114.274 -1.33 . . . . 0.0 112.828 -179.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.4 p90 -160.5 143.68 13.43 Favored 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 115.946 1.832 . . . . 0.0 115.946 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . 0.489 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.584 ' HE3' ' HA ' ' A' ' 9' ' ' LYS . 0.8 OUTLIER -62.13 -38.17 87.95 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 124.722 1.264 . . . . 0.0 108.851 -179.854 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.522 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 63.0 m -94.34 -33.77 13.06 Favored 'General case' 0 N--CA 1.494 1.774 0 C-N-CA 117.799 -1.56 . . . . 0.0 110.338 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.489 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 48.0 t -54.26 -19.37 5.18 Favored 'General case' 0 N--CA 1.507 2.38 0 N-CA-C 113.886 1.069 . . . . 0.0 113.886 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.9 ttp180 -79.26 -17.21 55.16 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-N 115.441 -0.799 . . . . 0.0 111.768 -179.786 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.2 t -88.26 150.41 23.28 Favored 'General case' 0 N--CA 1.494 1.743 0 CA-C-N 115.879 -0.6 . . . . 0.0 112.242 -179.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 22.8 tpp85 -60.53 -26.98 67.28 Favored 'General case' 0 N--CA 1.495 1.806 0 CA-C-N 114.048 -1.433 . . . . 0.0 109.497 179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.6 tt0 -63.0 -37.17 86.12 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.026 -0.988 . . . . 0.0 108.971 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.522 ' SG ' ' O ' ' A' ' 10' ' ' SER . 86.5 m -86.95 -24.62 24.7 Favored 'General case' 0 N--CA 1.492 1.652 0 N-CA-C 115.612 1.708 . . . . 0.0 115.612 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.516 ' N ' HD22 ' A' ' 18' ' ' HYP . 28.6 mtpp -52.44 -42.89 64.54 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 114.885 1.439 . . . . 0.0 114.885 179.804 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.516 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.476 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.3 m170 -79.54 152.02 30.39 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 123.745 0.653 . . . . 0.0 109.438 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.487 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 8.5 mpt_? -66.06 -18.85 65.61 Favored 'General case' 0 N--CA 1.497 1.922 0 O-C-N 123.874 0.733 . . . . 0.0 109.885 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 74.8 m -82.98 -26.2 31.52 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 114.801 -1.09 . . . . 0.0 113.152 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.694 -0.194 . . . . 0.0 111.343 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 39.2 mtm105 -82.06 81.02 8.16 Favored 'General case' 0 N--CA 1.495 1.779 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 44.9 tp -76.11 -117.02 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 106.609 -1.626 . . . . 0.0 106.609 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 22.6 m -34.67 -55.26 0.56 Allowed 'General case' 0 N--CA 1.498 1.935 0 C-N-CA 124.844 1.258 . . . . 0.0 112.723 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 53.9 m -62.93 -40.96 99.23 Favored 'General case' 0 N--CA 1.498 1.959 0 CA-C-N 114.776 -1.102 . . . . 0.0 113.011 -179.723 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -71.79 -45.38 43.96 Favored Glycine 0 N--CA 1.496 2.658 0 O-C-N 123.782 0.676 . . . . 0.0 114.728 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 39.3 p90 -146.0 141.47 27.72 Favored 'General case' 0 N--CA 1.496 1.828 0 N-CA-C 114.784 1.402 . . . . 0.0 114.784 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . 0.428 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 17.1 tppt? -59.71 -36.64 76.94 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 124.842 1.339 . . . . 0.0 109.121 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.482 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 58.4 m -87.28 -49.76 7.04 Favored 'General case' 0 N--CA 1.489 1.511 0 C-N-CA 118.076 -1.45 . . . . 0.0 108.189 179.821 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 49.1 t -37.51 -30.55 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.312 0 N-CA-C 116.653 2.094 . . . . 0.0 116.653 -179.806 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.445 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.5 tpm_? -82.6 14.95 2.8 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-N 115.071 -0.968 . . . . 0.0 111.791 -179.642 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 97.3 p -108.99 160.47 15.99 Favored 'General case' 0 N--CA 1.502 2.129 0 CA-C-O 121.867 0.841 . . . . 0.0 112.984 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -63.57 -40.79 97.87 Favored 'General case' 0 N--CA 1.495 1.814 0 N-CA-C 104.127 -2.546 . . . . 0.0 104.127 179.695 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -55.52 -34.02 64.29 Favored 'General case' 0 N--CA 1.495 1.812 0 CA-C-N 114.635 -1.166 . . . . 0.0 109.902 179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.557 ' HA ' ' CD2' ' A' ' 19' ' ' HIS . 74.1 m -90.32 -13.58 34.89 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 124.26 0.975 . . . . 0.0 113.603 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.44 ' N ' HD22 ' A' ' 18' ' ' HYP . 23.4 tptm -53.42 -46.61 69.86 Favored 'General case' 0 N--CA 1.495 1.798 0 CA-C-O 118.538 -0.744 . . . . 0.0 112.474 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.44 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.557 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 -81.0 145.26 31.26 Favored 'General case' 0 N--CA 1.501 2.108 0 C-N-CA 119.681 -0.808 . . . . 0.0 109.671 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 79.0 mtt85 -68.2 -19.24 64.75 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 123.787 0.68 . . . . 0.0 109.221 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.2 m -84.19 -24.7 30.0 Favored 'General case' 0 N--CA 1.492 1.63 0 CA-C-N 114.554 -1.203 . . . . 0.0 111.828 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.889 0 N-CA-C 111.708 0.262 . . . . 0.0 111.708 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 81.5 mtt85 -104.86 41.21 1.36 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 124.945 1.403 . . . . 0.0 109.277 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.512 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.1 pt? -43.72 -46.77 7.7 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 113.652 -1.613 . . . . 0.0 111.923 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.456 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 27.8 m -47.02 -65.18 0.6 Allowed 'General case' 0 N--CA 1.489 1.479 0 CA-C-N 113.37 -1.741 . . . . 0.0 111.979 179.56 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.5 t -67.62 -40.44 84.66 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-N 114.664 -1.153 . . . . 0.0 111.882 -179.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.08 -38.21 75.18 Favored Glycine 0 N--CA 1.495 2.595 0 O-C-N 124.233 0.958 . . . . 0.0 110.963 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.6 p90 -160.4 137.37 9.13 Favored 'General case' 0 N--CA 1.49 1.574 0 CA-C-O 121.84 0.828 . . . . 0.0 112.421 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -64.38 -37.67 88.35 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 124.714 1.259 . . . . 0.0 109.0 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.57 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.1 m -92.51 -24.78 18.67 Favored 'General case' 0 N--CA 1.493 1.722 0 C-N-CA 117.914 -1.514 . . . . 0.0 109.957 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.76 -22.71 2.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 115.322 1.601 . . . . 0.0 115.322 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.2 ttt-85 -79.45 -14.75 58.71 Favored 'General case' 0 N--CA 1.504 2.226 0 O-C-N 123.657 0.598 . . . . 0.0 111.893 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.6 t -71.07 153.03 42.91 Favored 'General case' 0 N--CA 1.491 1.619 0 CA-C-O 121.823 0.821 . . . . 0.0 113.145 -179.699 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 tmm_? -65.06 -46.17 82.28 Favored 'General case' 0 N--CA 1.492 1.674 0 N-CA-C 104.881 -2.266 . . . . 0.0 104.881 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -58.42 -31.87 68.14 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 114.82 -1.082 . . . . 0.0 110.461 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.57 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.9 m -85.84 -21.72 27.94 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 113.174 0.805 . . . . 0.0 113.174 179.722 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.49 ' N ' HD22 ' A' ' 18' ' ' HYP . 39.1 ttpt -51.59 -47.71 63.45 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 113.431 0.9 . . . . 0.0 113.431 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.49 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.3 m170 -75.02 149.64 39.17 Favored 'General case' 0 N--CA 1.5 2.026 0 C-N-CA 120.083 -0.647 . . . . 0.0 109.895 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 34.0 mmt180 -66.59 -17.78 65.01 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 123.807 0.692 . . . . 0.0 111.693 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.7 m -92.74 -19.17 22.06 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 123.847 0.717 . . . . 0.0 111.161 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.929 0 CA-C-O 119.841 -0.123 . . . . 0.0 111.291 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.8 tpp180 -71.37 101.95 2.51 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 124.752 1.283 . . . . 0.0 109.327 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.528 ' CD2' ' H ' ' A' ' 3' ' ' LEU . 1.1 pt? -62.77 -54.87 32.45 Favored 'General case' 0 N--CA 1.493 1.694 0 CA-C-N 114.454 -1.248 . . . . 0.0 113.185 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.409 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 37.3 m -50.55 -62.05 1.83 Allowed 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 113.667 0.988 . . . . 0.0 113.667 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 14.9 t -71.96 -37.8 69.88 Favored 'General case' 0 N--CA 1.498 1.949 0 CA-C-N 114.902 -1.044 . . . . 0.0 111.443 -179.483 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.11 -36.99 93.19 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.094 0.872 . . . . 0.0 111.453 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -160.44 140.78 11.53 Favored 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 113.904 1.076 . . . . 0.0 113.904 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -62.62 -37.08 84.91 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 124.574 1.171 . . . . 0.0 109.36 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.495 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 66.5 m -93.56 -35.95 12.65 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 117.893 -1.523 . . . . 0.0 110.292 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 49.1 t -35.4 -33.33 0.03 OUTLIER 'General case' 0 N--CA 1.505 2.316 0 N-CA-C 117.677 2.473 . . . . 0.0 117.677 -179.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 33.2 ttm180 -90.83 23.03 3.29 Favored 'General case' 0 N--CA 1.502 2.13 0 CA-C-O 121.915 0.864 . . . . 0.0 110.693 -179.703 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.7 t -101.9 149.89 23.74 Favored 'General case' 0 N--CA 1.5 2.031 0 CA-C-N 115.054 -0.976 . . . . 0.0 109.43 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 -57.05 -36.73 70.85 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 124.465 1.103 . . . . 0.0 109.116 179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -65.09 -31.88 73.31 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 114.243 -1.344 . . . . 0.0 109.6 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.2 m -85.87 -16.06 39.79 Favored 'General case' 0 N--CA 1.491 1.618 0 N-CA-C 114.183 1.179 . . . . 0.0 114.183 -179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.496 ' N ' HD22 ' A' ' 18' ' ' HYP . 48.2 mmtm -55.72 -46.27 77.77 Favored 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 118.507 -0.759 . . . . 0.0 112.923 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.496 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 -82.21 143.69 31.21 Favored 'General case' 0 N--CA 1.497 1.922 0 N-CA-C 109.007 -0.738 . . . . 0.0 109.007 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.6 OUTLIER -70.66 -15.98 62.77 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 123.833 0.708 . . . . 0.0 110.254 179.885 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.2 m -89.19 -21.64 23.18 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-N 115.054 -0.975 . . . . 0.0 109.202 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.928 0 N-CA-C 111.556 0.206 . . . . 0.0 111.556 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 28.7 mmt85 -108.96 64.23 0.61 Allowed 'General case' 0 N--CA 1.496 1.863 0 O-C-N 124.862 1.351 . . . . 0.0 110.213 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.5 mt -92.2 -76.64 0.45 Allowed 'General case' 0 N--CA 1.495 1.817 0 N-CA-C 105.624 -1.991 . . . . 0.0 105.624 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.514 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 9.5 m -57.96 -54.81 42.68 Favored 'General case' 0 N--CA 1.488 1.455 0 CA-C-N 113.663 -1.608 . . . . 0.0 109.75 179.755 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 9.7 t -70.59 -44.24 67.71 Favored 'General case' 0 N--CA 1.489 1.507 0 CA-C-N 113.789 -1.55 . . . . 0.0 112.202 -179.462 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -61.91 -34.52 89.09 Favored Glycine 0 N--CA 1.494 2.508 0 C-N-CA 120.428 -0.891 . . . . 0.0 111.627 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 28.0 p90 -160.43 141.93 12.37 Favored 'General case' 0 N--CA 1.494 1.763 0 N-CA-C 114.182 1.178 . . . . 0.0 114.182 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm -62.03 -38.22 87.86 Favored 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.514 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.8 m -82.71 -25.97 32.46 Favored 'General case' 0 N--CA 1.486 1.358 0 C-N-CA 117.82 -1.552 . . . . 0.0 108.898 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 89.0 m -59.51 -12.84 7.08 Favored 'General case' 0 N--CA 1.506 2.368 0 N-CA-C 113.981 1.104 . . . . 0.0 113.981 179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 tpt85 -78.84 -16.68 56.78 Favored 'General case' 0 N--CA 1.498 1.932 0 N-CA-C 109.435 -0.579 . . . . 0.0 109.435 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 43.5 t -79.27 150.52 31.51 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.189 -0.914 . . . . 0.0 110.256 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 34.8 ttm105 -64.38 -31.96 73.38 Favored 'General case' 0 N--CA 1.497 1.919 0 CA-C-N 114.772 -1.104 . . . . 0.0 108.704 179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -62.27 -47.57 83.75 Favored 'General case' 0 N--CA 1.496 1.857 0 CA-C-N 114.735 -1.12 . . . . 0.0 108.582 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.477 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.9 m -79.9 -16.65 54.91 Favored 'General case' 0 N--CA 1.493 1.707 0 N-CA-C 115.09 1.515 . . . . 0.0 115.09 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -45.42 -45.72 13.0 Favored 'General case' 0 N--CA 1.499 1.994 0 N-CA-C 115.507 1.669 . . . . 0.0 115.507 -179.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.497 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.2 m170 -70.18 146.01 51.06 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 123.798 0.686 . . . . 0.0 111.484 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 -68.06 -18.37 64.66 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 124.654 1.221 . . . . 0.0 109.924 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 67.0 m -85.88 -25.7 26.05 Favored 'General case' 0 N--CA 1.496 1.845 0 CA-C-N 115.136 -0.938 . . . . 0.0 109.346 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.974 0 CA-C-O 120.41 0.147 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 14.2 tpt180 -90.45 59.29 4.27 Favored 'General case' 0 N--CA 1.497 1.916 0 N-CA-C 106.391 -1.707 . . . . 0.0 106.391 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.5 mt -64.58 -88.69 0.01 OUTLIER 'General case' 0 N--CA 1.499 1.977 0 CA-C-N 114.796 -1.093 . . . . 0.0 113.361 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.402 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 30.6 m -33.3 -52.17 0.36 Allowed 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 116.354 1.983 . . . . 0.0 116.354 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 11.7 t -80.8 -29.18 36.06 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 123.973 0.795 . . . . 0.0 111.784 -179.562 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.45 -42.66 93.64 Favored Glycine 0 N--CA 1.496 2.688 0 O-C-N 123.791 0.682 . . . . 0.0 112.749 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -154.41 147.18 24.33 Favored 'General case' 0 N--CA 1.497 1.901 0 N-CA-C 113.25 0.833 . . . . 0.0 113.25 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.469 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 3.2 mptp? -64.62 -41.51 96.14 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 124.721 1.263 . . . . 0.0 110.595 -179.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.525 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.2 m -90.86 -36.28 14.29 Favored 'General case' 0 N--CA 1.493 1.711 0 C-N-CA 119.028 -1.069 . . . . 0.0 109.098 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 41.8 t -39.23 -30.86 0.06 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 116.169 1.914 . . . . 0.0 116.169 -179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.5 tpp85 -79.85 -25.22 40.82 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 115.135 1.531 . . . . 0.0 115.135 -179.639 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -65.95 149.87 49.54 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 -179.656 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -57.07 -25.83 59.35 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 125.028 1.455 . . . . 0.0 108.386 179.685 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.2 tp-100 -64.93 -42.64 94.5 Favored 'General case' 0 N--CA 1.489 1.519 0 CA-C-N 114.014 -1.448 . . . . 0.0 108.892 179.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.525 ' SG ' ' O ' ' A' ' 10' ' ' SER . 83.4 m -84.76 -24.01 28.99 Favored 'General case' 0 N--CA 1.491 1.606 0 N-CA-C 116.258 1.947 . . . . 0.0 116.258 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.426 ' N ' HD22 ' A' ' 18' ' ' HYP . 68.4 mttm -51.26 -40.76 59.58 Favored 'General case' 0 N--CA 1.505 2.311 0 N-CA-C 115.331 1.604 . . . . 0.0 115.331 179.851 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.426 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.449 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.6 m170 -92.94 149.47 21.22 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.637 0.586 . . . . 0.0 110.594 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 92.7 mtt-85 -65.5 -22.5 66.74 Favored 'General case' 0 N--CA 1.499 2.0 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.819 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.7 m -89.02 -19.0 26.2 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 124.001 0.813 . . . . 0.0 111.237 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.92 0 N-CA-C 111.88 0.326 . . . . 0.0 111.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 2' ' ' ARG . 1.8 mpt_? -95.17 87.05 4.74 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 124.801 1.313 . . . . 0.0 110.112 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.477 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.1 mp -81.74 -70.44 0.54 Allowed 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.363 -1.717 . . . . 0.0 106.363 179.835 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 17.4 m -44.31 -54.6 5.63 Favored 'General case' 0 N--CA 1.492 1.672 0 CA-C-N 113.709 -1.587 . . . . 0.0 111.515 179.628 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 20.0 t -76.86 -44.43 32.22 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 114.169 -1.378 . . . . 0.0 113.29 -179.482 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.92 -33.7 64.19 Favored Glycine 0 N--CA 1.499 2.84 0 C-N-CA 120.629 -0.796 . . . . 0.0 111.655 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -160.59 136.27 8.18 Favored 'General case' 0 N--CA 1.49 1.56 0 CA-C-O 121.328 0.585 . . . . 0.0 112.159 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -62.23 -35.97 80.56 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 124.323 1.014 . . . . 0.0 108.468 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.531 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 72.7 m -80.84 -19.2 45.12 Favored 'General case' 0 N--CA 1.488 1.448 0 C-N-CA 118.027 -1.469 . . . . 0.0 110.057 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 87.3 m -64.65 -5.19 5.16 Favored 'General case' 0 N--CA 1.506 2.35 0 C-N-CA 120.113 -0.635 . . . . 0.0 112.704 179.68 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -78.85 -23.86 44.71 Favored 'General case' 0 N--CA 1.498 1.971 0 N-CA-C 104.56 -2.385 . . . . 0.0 104.56 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.1 t -71.34 142.63 50.4 Favored 'General case' 0 N--CA 1.495 1.795 0 CA-C-N 116.123 -0.49 . . . . 0.0 109.679 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 52.9 tpt85 -64.41 -28.14 69.48 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 124.368 1.043 . . . . 0.0 108.925 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.8 tt0 -67.73 -37.58 82.37 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 115.027 -0.988 . . . . 0.0 108.444 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' A' ' 10' ' ' SER . 75.0 m -83.82 -21.14 32.17 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 124.427 1.079 . . . . 0.0 113.554 179.888 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -44.75 -45.89 10.18 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 115.188 1.551 . . . . 0.0 115.188 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.429 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 16.7 m170 -69.67 150.85 46.56 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 123.999 0.812 . . . . 0.0 111.793 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 7.8 mpt_? -69.96 -19.25 63.37 Favored 'General case' 0 N--CA 1.494 1.757 0 CA-C-N 114.331 -1.304 . . . . 0.0 109.65 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.1 m -88.19 -21.48 24.54 Favored 'General case' 0 N--CA 1.496 1.844 0 CA-C-N 114.873 -1.058 . . . . 0.0 109.397 -179.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.982 0 N-CA-C 112.065 0.395 . . . . 0.0 112.065 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.477 ' NH1' HH12 ' A' ' 20' ' ' ARG . 52.3 mtt180 -70.57 117.06 11.62 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.724 1.265 . . . . 0.0 110.035 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.517 ' N ' HD23 ' A' ' 3' ' ' LEU . 1.0 OUTLIER -42.3 -45.84 4.36 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 124.407 1.067 . . . . 0.0 111.469 179.674 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.426 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 35.1 m -49.08 -65.33 0.59 Allowed 'General case' 0 N--CA 1.49 1.543 0 CA-C-N 113.248 -1.796 . . . . 0.0 112.186 179.457 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 22.8 t -66.75 -45.19 79.37 Favored 'General case' 0 N--CA 1.497 1.907 0 CA-C-N 114.491 -1.231 . . . . 0.0 112.185 -179.492 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.49 -37.65 56.44 Favored Glycine 0 N--CA 1.495 2.612 0 O-C-N 124.38 1.05 . . . . 0.0 110.757 -179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 37.4 p90 -160.48 133.76 6.72 Favored 'General case' 0 N--CA 1.491 1.576 0 CA-C-O 121.721 0.772 . . . . 0.0 112.957 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -61.17 -44.94 96.52 Favored 'General case' 0 N--CA 1.49 1.548 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.573 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 65.8 m -85.84 -27.11 25.3 Favored 'General case' 0 N--CA 1.491 1.604 0 C-N-CA 117.823 -1.551 . . . . 0.0 112.24 -179.795 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 54.0 t -47.94 -25.44 1.35 Allowed 'General case' 0 N--CA 1.507 2.392 0 N-CA-C 115.741 1.756 . . . . 0.0 115.741 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.7 tpp180 -79.81 -6.83 58.08 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 123.621 0.575 . . . . 0.0 112.502 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 46.5 t -80.63 147.0 30.9 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 115.861 -0.609 . . . . 0.0 110.673 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 76.7 ttt-85 -58.3 -36.17 72.93 Favored 'General case' 0 N--CA 1.495 1.82 0 O-C-N 124.698 1.249 . . . . 0.0 109.172 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 10.9 tt0 -63.46 -32.83 74.39 Favored 'General case' 0 N--CA 1.494 1.728 0 CA-C-N 114.727 -1.124 . . . . 0.0 109.508 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.573 ' SG ' ' O ' ' A' ' 10' ' ' SER . 74.6 m -83.62 -23.38 31.89 Favored 'General case' 0 N--CA 1.492 1.645 0 N-CA-C 114.612 1.338 . . . . 0.0 114.612 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.508 ' N ' HD22 ' A' ' 18' ' ' HYP . 63.8 mttp -54.34 -44.52 72.18 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.508 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.464 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.2 m170 -72.99 151.51 41.75 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 119.835 -0.746 . . . . 0.0 110.102 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.477 HH12 ' NH1' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -67.95 -18.0 64.62 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 123.687 0.617 . . . . 0.0 111.229 -179.854 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 36.8 m -92.33 -17.63 24.44 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 124.019 0.824 . . . . 0.0 111.383 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 120.951 0.405 . . . . 0.0 110.365 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.0 mtt85 -116.17 40.03 2.94 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-N 114.203 -1.362 . . . . 0.0 109.974 -179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.491 ' N ' HD12 ' A' ' 3' ' ' LEU . 5.1 mp -82.74 -121.06 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.667 0 CA-C-N 114.158 -1.383 . . . . 0.0 108.169 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.487 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 4.5 m -37.49 -46.92 0.86 Allowed 'General case' 0 N--CA 1.496 1.843 0 C-N-CA 124.994 1.318 . . . . 0.0 111.185 179.636 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.1 m -88.13 46.69 1.41 Allowed 'General case' 0 N--CA 1.495 1.804 0 CA-C-N 113.76 -1.564 . . . . 0.0 110.021 -179.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -156.49 -41.42 0.02 OUTLIER Glycine 0 N--CA 1.492 2.413 0 N-CA-C 110.203 -1.159 . . . . 0.0 110.203 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -160.47 151.77 19.31 Favored 'General case' 0 N--CA 1.498 1.975 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 39.1 ttpt -61.01 -43.68 98.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 124.629 1.206 . . . . 0.0 108.445 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.515 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 74.5 m -76.81 -35.03 57.88 Favored 'General case' 0 N--CA 1.485 1.293 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 90.3 m -64.9 -9.36 20.55 Favored 'General case' 0 N--CA 1.503 2.217 0 C-N-CA 119.867 -0.733 . . . . 0.0 111.897 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -79.02 -8.92 59.34 Favored 'General case' 0 N--CA 1.493 1.703 0 N-CA-C 108.539 -0.911 . . . . 0.0 108.539 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.8 m -99.73 146.47 26.5 Favored 'General case' 0 N--CA 1.484 1.237 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.592 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 68.9 ttp85 -63.26 -25.63 68.41 Favored 'General case' 0 N--CA 1.497 1.902 0 CA-C-N 115.015 -0.993 . . . . 0.0 108.827 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -60.91 -44.66 96.84 Favored 'General case' 0 N--CA 1.495 1.814 0 CA-C-N 115.024 -0.989 . . . . 0.0 109.254 179.82 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.515 ' SG ' ' HB3' ' A' ' 10' ' ' SER . 72.1 m -83.4 -20.67 33.75 Favored 'General case' 0 N--CA 1.494 1.765 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -45.94 -51.59 13.05 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 114.988 1.477 . . . . 0.0 114.988 -179.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 28.9 m-70 -81.4 155.95 25.65 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 123.987 0.804 . . . . 0.0 112.832 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' N ' ' HD3' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -71.11 -26.05 62.86 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 106.926 -1.509 . . . . 0.0 106.926 179.803 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.6 m -66.48 -23.53 66.28 Favored 'General case' 0 N--CA 1.493 1.688 0 CA-C-N 113.689 -1.596 . . . . 0.0 110.865 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 111.975 0.361 . . . . 0.0 111.975 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.448 ' N ' ' HD3' ' A' ' 2' ' ' ARG . 0.1 OUTLIER -77.64 88.95 3.92 Favored 'General case' 0 N--CA 1.496 1.843 0 N-CA-C 107.778 -1.193 . . . . 0.0 107.778 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 89.7 mt -68.76 -157.67 0.02 OUTLIER 'General case' 0 N--CA 1.501 2.085 0 N-CA-C 114.418 1.266 . . . . 0.0 114.418 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . . . . . . . . . 28.5 m -33.83 -58.6 0.43 Allowed 'General case' 0 N--CA 1.494 1.743 0 C-N-CA 125.656 1.583 . . . . 0.0 114.619 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 16.8 t -58.7 -35.0 71.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 114.863 -1.062 . . . . 0.0 110.343 -179.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -73.95 -31.15 60.31 Favored Glycine 0 N--CA 1.488 2.116 0 CA-C-N 113.97 -1.468 . . . . 0.0 113.516 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -159.95 150.48 18.85 Favored 'General case' 0 N--CA 1.504 2.267 0 N-CA-C 118.054 2.613 . . . . 0.0 118.054 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . 0.486 ' HA ' ' HB3' ' A' ' 11' ' ' CYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.565 ' HE2' ' C ' ' A' ' 9' ' ' LYS . 0.1 OUTLIER -60.47 -49.5 77.31 Favored 'General case' 0 N--CA 1.49 1.559 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.48 ' C ' ' SG ' ' A' ' 16' ' ' CYS . 69.3 m -95.53 -47.33 6.29 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 119.332 -0.947 . . . . 0.0 111.327 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.486 ' HB3' ' HA ' ' A' ' 8' ' ' HYP . 52.1 t -37.3 -26.07 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.496 0 N-CA-C 116.39 1.996 . . . . 0.0 116.39 -179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . 0.489 ' HA ' ' NE ' ' A' ' 12' ' ' ARG . 5.4 tpm_? -86.62 16.79 4.35 Favored 'General case' 0 N--CA 1.496 1.875 0 O-C-N 123.817 0.698 . . . . 0.0 111.177 -179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 96.0 p -111.06 156.82 20.73 Favored 'General case' 0 N--CA 1.502 2.162 0 CA-C-O 121.208 0.527 . . . . 0.0 111.665 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -56.44 -47.54 78.9 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-N 114.017 -1.447 . . . . 0.0 107.314 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.4 tt0 -53.55 -35.29 60.59 Favored 'General case' 0 N--CA 1.496 1.848 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.704 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.48 ' SG ' ' C ' ' A' ' 10' ' ' SER . 71.3 m -83.25 -20.67 34.08 Favored 'General case' 0 N--CA 1.491 1.6 0 N-CA-C 114.729 1.381 . . . . 0.0 114.729 179.882 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.467 ' N ' HD22 ' A' ' 18' ' ' HYP . 58.1 mtpt -52.11 -46.54 65.35 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 114.182 1.179 . . . . 0.0 114.182 179.839 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.467 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.467 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.7 m170 -77.58 145.7 36.67 Favored 'General case' 0 N--CA 1.499 2.009 0 C-N-CA 120.026 -0.669 . . . . 0.0 109.61 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -69.0 -15.96 63.61 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 123.72 0.637 . . . . 0.0 111.195 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.5 m -91.47 -19.63 22.62 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 124.045 0.841 . . . . 0.0 110.133 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 N-CA-C 111.42 0.156 . . . . 0.0 111.42 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.502 ' H ' ' HD2' ' A' ' 2' ' ' ARG . 0.0 OUTLIER -119.51 50.29 1.27 Allowed 'General case' 0 N--CA 1.493 1.713 0 O-C-N 125.018 1.449 . . . . 0.0 110.921 179.969 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 53.2 tp -89.94 -112.84 0.07 Allowed 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.619 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 61.8 m -34.3 -56.54 0.51 Allowed 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 114.678 1.362 . . . . 0.0 114.678 179.535 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.437 ' HA ' ' HB2' ' A' ' 21' ' ' CYS . 9.1 t -80.26 -38.15 31.48 Favored 'General case' 0 N--CA 1.489 1.486 0 CA-C-N 114.211 -1.359 . . . . 0.0 111.385 -179.208 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -57.52 -33.15 65.88 Favored Glycine 0 N--CA 1.495 2.616 0 C-N-CA 120.472 -0.871 . . . . 0.0 111.428 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 5.5 p90 -160.24 142.16 12.8 Favored 'General case' 0 N--CA 1.489 1.492 0 N-CA-C 113.455 0.909 . . . . 0.0 113.455 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 25.5 ttpp -61.92 -38.68 89.31 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 124.609 1.193 . . . . 0.0 108.276 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.619 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 67.1 m -88.35 -18.46 28.38 Favored 'General case' 0 N--CA 1.493 1.677 0 C-N-CA 118.024 -1.47 . . . . 0.0 111.932 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 57.3 m -57.35 -5.6 0.33 Allowed 'General case' 0 N--CA 1.509 2.479 0 N-CA-C 115.79 1.774 . . . . 0.0 115.79 179.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 55.3 ttt85 -78.89 -15.59 58.14 Favored 'General case' 0 N--CA 1.5 2.025 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 47.4 t -79.4 138.6 37.7 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 115.483 -0.78 . . . . 0.0 111.119 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 54.6 ttp180 -56.69 -36.6 69.82 Favored 'General case' 0 N--CA 1.501 2.079 0 O-C-N 124.499 1.124 . . . . 0.0 108.785 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -67.52 -30.72 70.46 Favored 'General case' 0 N--CA 1.493 1.684 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.529 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' A' ' 10' ' ' SER . 84.3 m -81.33 -27.16 35.08 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 115.302 1.593 . . . . 0.0 115.302 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.5 ' N ' HD22 ' A' ' 18' ' ' HYP . 60.6 mttp -52.96 -43.73 66.58 Favored 'General case' 0 N--CA 1.502 2.126 0 N-CA-C 114.241 1.201 . . . . 0.0 114.241 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.5 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 11.9 m170 -94.14 150.51 20.26 Favored 'General case' 0 N--CA 1.503 2.179 0 C-N-CA 120.03 -0.668 . . . . 0.0 110.414 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 10.6 mmm180 -49.53 -29.29 6.61 Favored 'General case' 0 N--CA 1.5 2.055 0 N-CA-C 116.469 2.026 . . . . 0.0 116.469 -179.688 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.437 ' HB2' ' HA ' ' A' ' 5' ' ' CYS . 75.3 m -87.48 -22.8 24.7 Favored 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 113.882 1.067 . . . . 0.0 113.882 -179.792 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.884 0 N-CA-C 111.597 0.221 . . . . 0.0 111.597 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 76.5 mmt-85 -84.47 128.38 34.55 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 124.556 1.16 . . . . 0.0 110.579 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 60.2 tp -78.53 -107.13 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 106.571 -1.641 . . . . 0.0 106.571 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.497 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.9 m -34.71 -56.34 0.55 Allowed 'General case' 0 N--CA 1.495 1.802 0 C-N-CA 125.553 1.541 . . . . 0.0 113.75 179.586 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 19.6 t -70.47 -43.03 70.61 Favored 'General case' 0 N--CA 1.494 1.747 0 CA-C-N 114.195 -1.366 . . . . 0.0 112.972 -179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -59.39 -35.67 86.03 Favored Glycine 0 N--CA 1.496 2.678 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.803 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 42.3 p90 -160.07 133.77 7.12 Favored 'General case' 0 N--CA 1.491 1.58 0 N-CA-C 113.317 0.858 . . . . 0.0 113.317 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -58.49 -45.2 89.21 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 105.809 -1.922 . . . . 0.0 105.809 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.567 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 69.6 m -83.02 -30.9 27.74 Favored 'General case' 0 N--CA 1.491 1.587 0 C-N-CA 117.789 -1.565 . . . . 0.0 111.274 -179.807 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 53.2 t -50.55 -16.48 0.37 Allowed 'General case' 0 N--CA 1.51 2.558 0 N-CA-C 114.408 1.262 . . . . 0.0 114.408 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 75.7 ttt-85 -79.68 -12.41 59.81 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 112.932 0.716 . . . . 0.0 112.932 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 88.2 p -89.28 146.98 24.37 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 112.87 0.693 . . . . 0.0 112.87 -179.72 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 28.3 tpt180 -54.58 -32.6 58.91 Favored 'General case' 0 N--CA 1.497 1.904 0 CA-C-N 114.266 -1.334 . . . . 0.0 110.039 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -64.36 -34.28 77.79 Favored 'General case' 0 N--CA 1.494 1.76 0 CA-C-N 114.863 -1.062 . . . . 0.0 109.544 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.567 ' SG ' ' O ' ' A' ' 10' ' ' SER . 92.9 m -81.87 -30.03 32.2 Favored 'General case' 0 N--CA 1.491 1.608 0 N-CA-C 116.024 1.861 . . . . 0.0 116.024 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.507 ' N ' HD22 ' A' ' 18' ' ' HYP . 4.6 mptp? -52.4 -41.75 63.44 Favored 'General case' 0 N--CA 1.505 2.292 0 N-CA-C 116.137 1.903 . . . . 0.0 116.137 179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.507 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.441 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 10.9 m170 -73.63 153.49 40.14 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 123.833 0.708 . . . . 0.0 111.825 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.446 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 3.5 mmp_? -71.45 11.94 0.4 Allowed 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 114.531 -1.213 . . . . 0.0 112.501 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 51.8 m -127.38 -17.24 4.73 Favored 'General case' 0 N--CA 1.499 1.975 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.942 0 CA-C-O 120.807 0.337 . . . . 0.0 110.918 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.2 tpp180 -94.85 40.77 1.09 Allowed 'General case' 0 N--CA 1.496 1.84 0 O-C-N 124.608 1.193 . . . . 0.0 108.889 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.565 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.5 pt? -91.62 -147.25 0.21 Allowed 'General case' 0 N--CA 1.498 1.933 0 CA-C-N 114.9 -1.045 . . . . 0.0 108.935 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.443 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 45.5 m -33.87 -54.72 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 124.169 0.988 . . . . 0.0 113.294 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 21.8 t -87.52 44.5 1.19 Allowed 'General case' 0 N--CA 1.496 1.869 0 O-C-N 124.181 0.926 . . . . 0.0 108.844 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -152.41 -32.32 0.03 OUTLIER Glycine 0 N--CA 1.491 2.347 0 CA-C-N 114.634 -1.166 . . . . 0.0 110.758 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . 0.442 ' CE1' ' HA ' ' A' ' 3' ' ' LEU . 0.0 OUTLIER -157.99 146.77 19.24 Favored 'General case' 0 N--CA 1.499 1.986 0 N-CA-C 115.372 1.619 . . . . 0.0 115.372 179.907 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -66.05 -44.89 83.28 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 124.816 1.323 . . . . 0.0 110.45 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.511 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 67.4 m -95.34 -42.27 8.59 Favored 'General case' 0 N--CA 1.495 1.806 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.923 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 44.9 t -43.25 -24.52 0.09 Allowed 'General case' 0 N--CA 1.505 2.278 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 59.3 ttt85 -90.58 21.61 3.9 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 123.923 0.764 . . . . 0.0 110.129 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 44.2 t -114.02 154.73 27.16 Favored 'General case' 0 N--CA 1.501 2.086 0 CA-C-N 115.714 -0.675 . . . . 0.0 111.142 -179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.4 tpt85 -66.01 -27.8 68.4 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.055 179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 tt0 -64.5 -36.97 85.91 Favored 'General case' 0 N--CA 1.494 1.773 0 N-CA-C 107.698 -1.223 . . . . 0.0 107.698 179.726 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.511 ' SG ' ' O ' ' A' ' 10' ' ' SER . 68.1 m -85.98 -16.39 38.48 Favored 'General case' 0 N--CA 1.488 1.426 0 CA-C-N 114.231 -1.35 . . . . 0.0 113.226 179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' C ' ' HD3' ' A' ' 17' ' ' LYS . 10.5 tmtt? -51.48 -50.62 59.49 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 118.444 -0.788 . . . . 0.0 111.718 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.434 HD23 ' HB3' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.459 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.8 m170 -95.28 145.05 25.36 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 123.605 0.566 . . . . 0.0 110.015 179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.486 ' NE ' ' HA ' ' A' ' 20' ' ' ARG . 13.6 mmp_? -72.71 5.29 3.23 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 123.54 0.525 . . . . 0.0 110.979 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 35.3 m -115.89 -22.75 8.91 Favored 'General case' 0 N--CA 1.496 1.854 0 N-CA-C 108.605 -0.887 . . . . 0.0 108.605 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 CA-C-O 119.876 -0.107 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 35.8 ttm105 -122.44 63.62 0.95 Allowed 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 107.337 -1.357 . . . . 0.0 107.337 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.474 ' N ' HD22 ' A' ' 3' ' ' LEU . 1.7 mm? -94.75 -55.29 3.17 Favored 'General case' 0 N--CA 1.497 1.878 0 N-CA-C 105.389 -2.078 . . . . 0.0 105.389 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.474 ' SG ' ' CE1' ' A' ' 19' ' ' HIS . 10.9 m -53.41 -62.4 1.68 Allowed 'General case' 0 C--N 1.302 -1.476 0 CA-C-N 110.814 -2.903 . . . . 0.0 112.42 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 10.6 t -75.01 -33.38 61.8 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 113.905 -1.498 . . . . 0.0 110.037 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -63.07 -37.45 94.95 Favored Glycine 0 N--CA 1.494 2.553 0 N-CA-C 110.707 -0.957 . . . . 0.0 110.707 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -160.68 142.0 12.05 Favored 'General case' 0 N--CA 1.493 1.715 0 N-CA-C 113.361 0.874 . . . . 0.0 113.361 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . 0.496 ' HD2' ' N ' ' A' ' 9' ' ' LYS . 2.9 mptp? -68.61 -35.27 77.1 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 124.331 1.02 . . . . 0.0 110.285 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.562 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.5 m -91.92 -28.65 17.13 Favored 'General case' 0 N--CA 1.496 1.868 0 C-N-CA 118.017 -1.473 . . . . 0.0 109.613 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 50.7 t -39.17 -35.92 0.28 Allowed 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 116.746 2.128 . . . . 0.0 116.746 -179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 49.0 tpt85 -79.64 -21.73 44.47 Favored 'General case' 0 N--CA 1.504 2.25 0 N-CA-C 113.713 1.005 . . . . 0.0 113.713 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 50.5 m -56.71 157.72 5.19 Favored 'General case' 0 N--CA 1.491 1.619 0 N-CA-C 112.705 0.631 . . . . 0.0 112.705 -179.748 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 59.4 ttm-85 -68.13 -33.02 73.72 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-N 114.647 -1.161 . . . . 0.0 108.05 179.818 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.3 tt0 -66.48 -37.67 85.59 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 108.184 -1.043 . . . . 0.0 108.184 179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.562 ' SG ' ' O ' ' A' ' 10' ' ' SER . 73.5 m -84.28 -19.88 33.07 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 124.771 1.295 . . . . 0.0 114.384 179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.541 ' HB2' ' HZ3' ' A' ' 17' ' ' LYS . 0.0 OUTLIER -52.08 -42.66 63.38 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 114.81 1.411 . . . . 0.0 114.81 -179.871 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.474 ' CE1' ' SG ' ' A' ' 4' ' ' CYS . 12.4 m170 -75.57 148.4 38.89 Favored 'General case' 0 N--CA 1.5 2.06 0 C-N-CA 119.641 -0.824 . . . . 0.0 111.525 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.491 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.7 mpt_? -69.11 -15.97 63.55 Favored 'General case' 0 N--CA 1.495 1.794 0 CA-C-N 115.399 -0.819 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 56.5 m -94.75 -19.43 20.37 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 123.972 0.795 . . . . 0.0 109.541 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.914 0 CA-C-O 119.749 -0.167 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 91.9 mtt-85 -135.91 47.41 2.25 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 124.787 1.305 . . . . 0.0 109.221 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.643 ' H ' HD13 ' A' ' 3' ' ' LEU . 0.0 OUTLIER -95.27 -118.03 0.11 Allowed 'General case' 0 N--CA 1.493 1.681 0 CA-C-N 114.686 -1.143 . . . . 0.0 110.664 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.539 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 32.6 m -33.24 -47.7 0.21 Allowed 'General case' 0 N--CA 1.502 2.168 0 C-N-CA 124.327 1.051 . . . . 0.0 112.6 179.686 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 17.3 t -83.57 -35.75 24.49 Favored 'General case' 0 N--CA 1.491 1.618 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.702 -179.669 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -66.39 -35.26 89.93 Favored Glycine 0 N--CA 1.497 2.716 0 O-C-N 123.583 0.552 . . . . 0.0 113.893 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.0 p90 -160.13 149.1 17.34 Favored 'General case' 0 N--CA 1.496 1.829 0 N-CA-C 113.175 0.806 . . . . 0.0 113.175 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.27 -33.96 74.4 Favored 'General case' 0 N--CA 1.493 1.715 0 C-N-CA 118.861 -1.136 . . . . 0.0 109.514 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.539 ' HB2' ' HA ' ' A' ' 4' ' ' CYS . 66.0 m -77.51 -32.04 53.89 Favored 'General case' 0 N--CA 1.486 1.346 0 C-N-CA 118.6 -1.24 . . . . 0.0 107.75 179.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 92.1 m -59.92 -7.16 1.57 Allowed 'General case' 0 N--CA 1.506 2.344 0 N-CA-C 113.666 0.987 . . . . 0.0 113.666 179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.1 tpp85 -78.4 -9.61 59.35 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 48.4 t -83.03 143.96 30.26 Favored 'General case' 0 N--CA 1.492 1.644 0 CA-C-N 115.144 -0.935 . . . . 0.0 109.412 179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -65.12 -26.98 68.43 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-N 114.874 -1.057 . . . . 0.0 108.34 179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -73.14 -36.85 66.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-N 114.478 -1.237 . . . . 0.0 108.833 179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.494 ' SG ' ' O ' ' A' ' 10' ' ' SER . 77.7 m -80.36 -24.41 39.81 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.457 ' N ' HD22 ' A' ' 18' ' ' HYP . 4.9 tmtm? -49.62 -54.39 18.67 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 118.402 -0.808 . . . . 0.0 111.54 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . 0.457 HD22 ' N ' ' A' ' 17' ' ' LYS . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . . . . . . . . . 12.4 m170 -69.33 143.02 53.89 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 123.9 0.75 . . . . 0.0 110.813 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.488 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 1.6 mpt_? -69.07 -16.17 63.62 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 124.676 1.235 . . . . 0.0 109.638 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 68.6 m -82.0 -29.12 32.22 Favored 'General case' 0 N--CA 1.496 1.85 0 CA-C-N 115.061 -0.972 . . . . 0.0 109.015 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' PCA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 0.985 0 N-CA-C 111.865 0.32 . . . . 0.0 111.865 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 32.3 ptt-85 -86.53 60.24 6.11 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 125.01 1.444 . . . . 0.0 109.25 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 57.2 tp -77.61 -105.89 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.819 0 CA-C-N 114.198 -1.365 . . . . 0.0 109.656 -179.873 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' CYS . . . . . 0.476 ' HA ' ' HB2' ' A' ' 10' ' ' SER . 41.1 m -47.3 -53.56 13.23 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.471 1.285 . . . . 0.0 114.471 179.794 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 8.6 t -78.18 -16.25 58.07 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-N 113.546 -1.661 . . . . 0.0 112.333 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -86.99 -32.05 15.64 Favored Glycine 0 N--CA 1.493 2.443 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.777 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.4 p90 -160.34 142.67 13.02 Favored 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -61.22 -40.43 93.96 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 124.78 1.3 . . . . 0.0 108.621 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.513 ' O ' ' SG ' ' A' ' 16' ' ' CYS . 70.1 m -95.59 -33.06 12.52 Favored 'General case' 0 N--CA 1.498 1.94 0 C-N-CA 118.336 -1.346 . . . . 0.0 112.416 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 43.9 t -34.38 -27.93 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.465 0 N-CA-C 119.028 2.973 . . . . 0.0 119.028 -179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 61.6 ttp180 -79.46 3.04 19.76 Favored 'General case' 0 N--CA 1.502 2.13 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 -179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.464 ' HB3' ' SG ' ' A' ' 16' ' ' CYS . 44.8 t -89.33 156.38 18.76 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 113.176 0.806 . . . . 0.0 113.176 -179.676 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 14' ' ' ARG . 53.0 ttt-85 -67.88 -33.53 74.9 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 106.326 -1.731 . . . . 0.0 106.326 179.577 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 24.9 tt0 -67.85 -26.34 65.99 Favored 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 107.643 -1.243 . . . . 0.0 107.643 179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.513 ' SG ' ' O ' ' A' ' 10' ' ' SER . 76.9 m -87.95 -18.4 29.19 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 124.45 1.094 . . . . 0.0 112.437 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.4 tptm -51.98 -44.57 64.09 Favored 'General case' 0 N--CA 1.496 1.872 0 N-CA-C 114.337 1.236 . . . . 0.0 114.337 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HYP . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' HIS . . . . . 0.424 ' CD2' ' HA ' ' A' ' 16' ' ' CYS . 11.5 m170 -82.53 150.77 26.78 Favored 'General case' 0 N--CA 1.501 2.08 0 C-N-CA 119.948 -0.701 . . . . 0.0 111.59 -179.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' HD2' ' N ' ' A' ' 20' ' ' ARG . 9.2 mpt_? -63.28 -21.99 66.59 Favored 'General case' 0 N--CA 1.496 1.864 0 CA-C-N 114.827 -1.079 . . . . 0.0 111.905 -179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 85.5 m -97.11 -18.49 19.3 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 123.982 0.801 . . . . 0.0 111.693 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' CY3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_