data_1l1c_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 1l1c _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtp . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.319 0.58 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.52 149.69 5.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.649 -0.657 . . . . 0.0 110.005 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 8.6 mt -84.08 107.1 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 109.797 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.33 54.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.476 -0.765 . . . . 0.0 110.038 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -156.18 171.66 19.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.546 -0.722 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.639 ' O ' " H4'" ' C' ' 6' ' ' ' G' . 78.9 t -141.74 131.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.563 -0.71 . . . . 0.0 109.174 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . 0.567 HG23 ' HB2' ' B' ' 8' ' ' ASN . 6.9 mt -103.31 -29.92 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.467 -0.771 . . . . 0.0 109.838 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.493 ' OD1' ' HB ' ' A' ' 11' ' ' VAL . 28.5 p-10 -167.03 165.68 15.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 109.728 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.495 ' OD1' ' HA ' ' A' ' 31' ' ' PHE . 69.8 m-80 -51.2 -15.37 0.35 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.59 ' HB3' ' O ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -110.48 -24.2 10.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.497 -1.377 . . . . 0.0 112.293 -177.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . 0.493 ' HB ' ' OD1' ' A' ' 8' ' ' ASN . 27.9 t -125.42 142.6 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.53 -1.356 . . . . 0.0 111.677 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 HG22 HG12 ' A' ' 6' ' ' VAL . 1.7 pp -145.76 162.2 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.931 -0.48 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.6 159.71 14.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 p -160.49 146.42 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.387 -0.82 . . . . 0.0 110.467 -179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -108.34 137.38 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.455 -0.778 . . . . 0.0 109.437 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.3 p30 -100.9 -164.33 1.1 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.506 -0.746 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.74 -21.05 61.08 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 111.217 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -73.78 -15.16 61.2 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.326 -0.859 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.53 20.22 56.92 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -106.45 160.62 15.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.369 -1.077 . . . . 0.0 109.927 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -96.29 131.7 42.53 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.349 -0.845 . . . . 0.0 109.689 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . 0.409 HD23 HG22 ' A' ' 49' ' ' THR . 1.9 mp -128.19 149.48 50.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.702 -0.624 . . . . 0.0 109.426 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . 0.618 ' HB ' ' HB2' ' A' ' 48' ' ' PHE . 93.8 t -109.84 136.75 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 109.57 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . 0.476 HG13 HG12 ' A' ' 44' ' ' ILE . 75.4 t -115.1 110.22 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.559 ' HB3' ' H61' ' C' ' 26' ' ' ' A' . 7.5 mtt -90.1 147.41 23.64 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.59 ' O ' ' HB3' ' A' ' 10' ' ' ASN . . . -168.65 -179.95 41.19 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.732 ' HD2' ' C ' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -100.06 115.37 29.6 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.092 -1.24 . . . . 0.0 109.805 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.69 36.67 32.71 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LEU . . . . . 0.404 HD23 ' CA ' ' A' ' 26' ' ' GLY . 1.1 pp -86.43 -24.62 25.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.138 -1.213 . . . . 0.0 110.052 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.491 ' HB1' ' HA ' ' A' ' 9' ' ' ASN . . . -91.81 -9.85 41.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.451 -0.781 . . . . 0.0 110.962 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' ' C2 ' ' C' ' 27' ' ' ' A' . 14.2 t80 -58.03 136.92 57.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . 0.458 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 1.8 tt0 53.46 23.43 3.41 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.929 -0.482 . . . . 0.0 111.55 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.7 174.62 5.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.127 -0.983 . . . . 0.0 110.04 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -146.84 176.93 9.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -85.61 144.97 27.56 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.371 -0.831 . . . . 0.0 110.189 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.71 -35.45 4.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -75.6 156.64 34.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.408 -1.054 . . . . 0.0 110.111 179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.4 138.63 56.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.498 -0.751 . . . . 0.0 110.231 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.51 129.58 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.475 -0.766 . . . . 0.0 109.839 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.464 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 7.9 t70 -64.54 105.53 0.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLU . . . . . 0.48 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 11.3 mt-10 -63.96 -32.93 74.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.601 -0.687 . . . . 0.0 111.152 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.37 68.84 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.282 -0.886 . . . . 0.0 110.647 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 37.3 mtt-85 -86.88 -4.09 59.14 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.54 -0.725 . . . . 0.0 111.361 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.48 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 46.0 mt -70.86 113.68 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.566 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -100.56 -40.47 7.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.644 -0.66 . . . . 0.0 109.659 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.75 123.71 12.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.703 -0.623 . . . . 0.0 109.691 179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.435 HG22 ' HB3' ' B' ' 53' ' ' LYS . 6.0 t -94.29 162.05 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.24 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' HB2' ' HB ' ' A' ' 23' ' ' VAL . 3.6 m-85 -140.08 166.48 24.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.592 -0.693 . . . . 0.0 109.363 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.506 ' O ' ' HA ' ' B' ' 48' ' ' PHE . 0.0 OUTLIER -145.53 132.87 20.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.379 -0.825 . . . . 0.0 111.191 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.06 140.4 38.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.615 0.722 . . . . 0.0 111.113 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' VAL . 0.3 OUTLIER -133.44 -177.17 4.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.798 -0.564 . . . . 0.0 110.182 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -96.85 115.54 27.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.396 -0.815 . . . . 0.0 109.916 179.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -17.64 57.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.483 -0.761 . . . . 0.0 111.55 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.21 -39.97 92.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.191 -0.943 . . . . 0.0 110.808 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 4.0 p . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.575 179.891 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' MET . . . . . 0.403 ' HB2' ' CG2' ' B' ' 14' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.394 0.616 . . . . 0.0 110.595 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.79 152.37 25.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.502 -0.749 . . . . 0.0 110.201 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ILE . . . . . . . . . . . . . 24.9 mt -69.86 124.51 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.402 -0.811 . . . . 0.0 110.124 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.62 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.526 -0.734 . . . . 0.0 110.046 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -166.0 120.39 1.18 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.479 -0.763 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' VAL . . . . . 0.844 ' O ' " H5'" ' C' ' 25' ' ' ' A' . 89.8 t -73.47 118.97 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.726 . . . . 0.0 109.375 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ILE . . . . . 0.421 ' CG2' ' CG2' ' A' ' 7' ' ' ILE . 4.7 mt -89.48 -31.45 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.745 . . . . 0.0 110.06 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ASN . . . . . 0.567 ' HB2' HG23 ' A' ' 7' ' ' ILE . 3.1 t-20 -166.96 176.53 6.9 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ASN . . . . . 0.515 ' OD1' " H1'" ' C' ' 23' ' ' ' C' . 1.6 m-80 -68.4 -9.79 50.76 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.857 -1.152 . . . . 0.0 112.311 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ASN . . . . . 0.499 ' O ' ' HA ' ' B' ' 25' ' ' MET . 0.0 OUTLIER -127.36 11.4 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.637 -1.289 . . . . 0.0 109.674 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 t -147.18 130.29 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.036 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.453 HG21 ' CB ' ' B' ' 30' ' ' ALA . 1.9 pp -142.83 159.11 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.301 -0.874 . . . . 0.0 110.437 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.63 161.55 13.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.327 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.468 HG12 ' HB2' ' B' ' 22' ' ' LEU . 2.8 p -163.23 133.07 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.31 -0.869 . . . . 0.0 110.566 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.63 123.58 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.466 -0.771 . . . . 0.0 109.451 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' B' ' 22' ' ' LEU . 54.4 t30 -68.25 164.85 19.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.772 -0.58 . . . . 0.0 110.352 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.71 -30.39 68.77 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.452 -0.78 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.85 -31.9 70.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.648 -0.657 . . . . 0.0 110.184 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.05 22.82 4.8 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.52 153.65 19.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.332 -1.099 . . . . 0.0 109.712 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLU . . . . . . . . . . . . . 27.8 tt0 -89.15 124.82 34.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.459 -0.775 . . . . 0.0 109.052 179.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' B' ' 16' ' ' ASN . 75.6 mt -126.71 151.02 48.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.657 -0.652 . . . . 0.0 110.469 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' VAL . . . . . 0.644 ' HB ' ' HB2' ' B' ' 48' ' ' PHE . 48.6 t -115.94 141.17 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . 0.457 ' CG1' HG12 ' B' ' 44' ' ' ILE . 38.7 t -127.16 105.88 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.114 -0.991 . . . . 0.0 110.976 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' MET . . . . . 0.499 ' HA ' ' O ' ' B' ' 10' ' ' ASN . 0.0 OUTLIER -95.74 143.52 26.92 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLY . . . . . 0.406 ' HA3' ' O ' ' B' ' 43' ' ' ARG . . . -170.76 173.58 44.54 Favored Glycine 0 N--CA 1.489 2.175 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.414 ' HD2' ' O2 ' ' C' ' 8' ' ' ' U' . 3.4 tpt180 -68.17 105.74 2.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.691 -0.888 . . . . 0.0 110.365 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.03 34.4 31.07 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.514 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' LEU . . . . . 0.43 ' O ' ' HG ' ' B' ' 29' ' ' LEU . 0.6 OUTLIER -85.96 3.9 40.04 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.103 1.451 . . . . 0.0 109.457 178.833 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.459 ' HB2' ' C ' ' B' ' 9' ' ' ASN . . . -136.87 10.25 3.09 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.656 -0.652 . . . . 0.0 111.337 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' PHE . . . . . 0.464 ' CE2' ' HB2' ' B' ' 32' ' ' GLN . 49.5 t80 -64.42 135.55 56.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.121 . . . . 0.0 111.152 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLN . . . . . 0.464 ' HB2' ' CE2' ' B' ' 31' ' ' PHE . 0.1 OUTLIER 38.27 46.16 0.86 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.314 0.578 . . . . 0.0 111.059 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -108.21 178.17 4.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.342 -0.849 . . . . 0.0 110.604 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 176.95 8.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.433 -0.792 . . . . 0.0 110.263 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 64.8 m -86.13 145.92 26.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.361 -0.837 . . . . 0.0 110.487 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -31.77 5.93 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ASP . . . . . . . . . . . . . 4.8 t70 -82.0 151.39 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -1.09 . . . . 0.0 110.443 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.55 141.98 50.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 81.6 t -67.89 128.58 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.502 -0.749 . . . . 0.0 110.137 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ASP . . . . . 0.454 ' O ' HG13 ' B' ' 44' ' ' ILE . 16.4 t70 -65.36 104.7 1.0 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.706 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' GLU . . . . . 0.537 ' HA ' ' CD1' ' B' ' 44' ' ' ILE . 9.1 pt-20 -65.59 -24.91 67.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.587 -0.696 . . . . 0.0 111.542 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.14 65.15 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.173 -0.954 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ARG . . . . . 0.406 ' O ' ' HA3' ' B' ' 26' ' ' GLY . 10.6 mtp180 -105.87 19.83 19.92 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.483 -0.761 . . . . 0.0 111.407 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ILE . . . . . 0.537 ' CD1' ' HA ' ' B' ' 41' ' ' GLU . 13.6 mt -85.17 116.28 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.94 -1.1 . . . . 0.0 110.286 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.34 -40.77 6.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.711 -0.618 . . . . 0.0 110.11 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LYS . . . . . . . . . . . . . 21.2 mttt -142.48 127.35 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.554 -0.716 . . . . 0.0 110.375 -179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.46 ' O ' ' N ' ' A' ' 51' ' ' ASP . 1.7 t -111.98 122.25 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.457 -0.777 . . . . 0.0 109.73 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.644 ' HB2' ' HB ' ' B' ' 23' ' ' VAL . 14.1 m-85 -103.05 148.59 25.52 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.853 -1.155 . . . . 0.0 110.159 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' THR . . . . . 0.426 HG21 ' CD2' ' B' ' 22' ' ' LEU . 59.6 p -119.04 132.08 56.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.734 -0.604 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' LEU . . . . . . . . . . . . . 22.9 tp -52.89 129.94 31.78 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.603 0.716 . . . . 0.0 110.986 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 175.89 5.61 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.162 0.506 . . . . 0.0 110.342 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.31 116.09 26.28 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.414 -0.803 . . . . 0.0 110.111 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' LYS . . . . . 0.435 ' HB3' HG22 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.19 -16.62 62.33 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.584 -0.697 . . . . 0.0 111.566 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.96 -39.64 86.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.0 110.33 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 0.0 109.939 179.541 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' G' . . . . . 0.672 " O2'" " H5'" ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.485 1 C3'-C2'-C1' 105.376 4.307 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' G' . . . . . 0.672 " H5'" " O2'" ' C' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.711 1 C3'-C2'-C1' 105.901 4.89 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' A' . . . . . 0.582 " H2'" ' C6 ' ' C' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.777 1 C3'-C2'-C1' 106.342 5.38 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' U' . . . . . 0.582 ' C6 ' " H2'" ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.418 1 C3'-C2'-C1' 106.256 5.284 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' U' . . . . . 0.591 " O2'" " H5'" ' C' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.669 1 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' G' . . . . . 0.639 " H4'" ' O ' ' A' ' 6' ' ' VAL . . . . . . . . 0 O4'--C1' 1.446 2.662 1 C3'-C2'-C1' 106.083 5.092 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' U' . . . . . 0.71 " O2'" " H3'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.481 1 C3'-C2'-C1' 106.165 5.184 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' U' . . . . . 0.71 " H3'" " O2'" ' C' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.258 1 C3'-C2'-C1' 106.393 5.437 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' A' . . . . . 0.565 ' N7 ' ' N2 ' ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.579 1 C3'-C2'-C1' 106.325 5.361 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' C' . . . . . 0.577 " H2'" ' C6 ' ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.735 1 C3'-C2'-C1' 106.471 5.524 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' U' . . . . . 0.594 " H2'" ' C8 ' ' C' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.794 1 C3'-C2'-C1' 105.558 4.508 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' G' . . . . . 0.594 ' C8 ' " H2'" ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.722 1 C3'-C2'-C1' 105.443 4.381 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' C' . . . . . 0.503 " H2'" ' C6 ' ' C' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.766 1 C3'-C2'-C1' 105.873 4.859 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' U' . . . . . 0.97 " H4'" ' N7 ' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.406 1 C3'-C2'-C1' 106.33 5.366 . 0.039 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' A' . . . . . 0.991 " O2'" " H5'" ' C' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.394 1 C3'-C2'-C1' 106.423 5.47 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' C' . . . . . 0.991 " H5'" " O2'" ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.638 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' G' . . . . . 0.756 " H2'" " O4'" ' C' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.239 1 C3'-C2'-C1' 106.314 5.349 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' G' . . . . . 0.756 " O4'" " H2'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.306 1 C3'-C2'-C1' 105.574 4.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' C' . . . . . 0.49 " H2'" ' C8 ' ' C' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.679 1 C3'-C2'-C1' 105.95 4.945 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' A' . . . . . 0.49 ' C8 ' " H2'" ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.448 2.865 1 C3'-C2'-C1' 105.742 4.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' G' . . . . . 0.415 " H2'" ' C8 ' ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.45 2.99 0 C3'-C2'-C1' 105.03 3.922 . 0.335 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' G' . . . . . 0.746 " O2'" " H5'" ' C' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.449 2.878 1 C3'-C2'-C1' 105.46 4.4 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ' C' . . . . . 0.746 " H5'" " O2'" ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.788 1 C3'-C2'-C1' 106.079 5.088 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ' A' . . . . . 0.524 " H2'" ' C8 ' ' C' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.615 1 C3'-C2'-C1' 105.668 4.632 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' ' A' . . . . . 0.844 " H5'" ' O ' ' B' ' 6' ' ' VAL . . . . . . . . 0 O4'--C1' 1.448 2.837 1 C3'-C2'-C1' 105.468 4.409 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' ' A' . . . . . 0.559 ' H61' ' HB3' ' A' ' 25' ' ' MET . . . . . . . . 0 O4'--C1' 1.443 2.416 1 C3'-C2'-C1' 105.833 4.814 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ' A' . . . . . 0.582 ' N7 ' ' H2 ' ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.165 1 C3'-C2'-C1' 105.683 4.647 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' ' C' . . . . . 0.47 ' C6 ' " H2'" ' C' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.58 1 C3'-C2'-C1' 106.367 5.408 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.319 1 C3'-C2'-C1' 106.327 5.363 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtp . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.319 0.58 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -167.52 149.69 5.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.649 -0.657 . . . . 0.0 110.005 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 37' ' ' ASP . 8.6 mt -84.08 107.1 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 109.797 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.33 54.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.476 -0.765 . . . . 0.0 110.038 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -156.18 171.66 19.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.546 -0.722 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.595 ' O ' " H4'" ' C' ' 6' ' ' ' G' . 78.9 t -141.74 131.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.563 -0.71 . . . . 0.0 109.174 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.932 HD13 HG11 ' B' ' 11' ' ' VAL . 6.9 mt -103.31 -29.92 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.467 -0.771 . . . . 0.0 109.838 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 0.55 ' ND2' HG23 ' B' ' 7' ' ' ILE . 28.5 p-10 -167.03 165.68 15.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 109.728 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 69.8 m-80 -51.2 -15.37 0.35 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -110.48 -24.2 10.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.497 -1.377 . . . . 0.0 112.293 -177.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.651 HG13 ' HG2' ' A' ' 25' ' ' MET . 27.9 t -125.42 142.6 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.53 -1.356 . . . . 0.0 111.677 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 29' ' ' LEU . 1.7 pp -145.76 162.2 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.931 -0.48 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.6 159.71 14.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 2' ' ' LYS . 2.8 p -160.49 146.42 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.387 -0.82 . . . . 0.0 110.467 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -108.34 137.38 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.455 -0.778 . . . . 0.0 109.437 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.3 p30 -100.9 -164.33 1.1 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.506 -0.746 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.74 -21.05 61.08 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 111.217 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -73.78 -15.16 61.2 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.326 -0.859 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.53 20.22 56.92 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -106.45 160.62 15.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.369 -1.077 . . . . 0.0 109.927 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -96.29 131.7 42.53 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.349 -0.845 . . . . 0.0 109.689 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . 0.927 HD23 HG23 ' A' ' 49' ' ' THR . 1.9 mp -128.19 149.48 50.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.702 -0.624 . . . . 0.0 109.426 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.848 HG23 ' CD2' ' B' ' 48' ' ' PHE . 93.8 t -109.84 136.75 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 109.57 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 44' ' ' ILE . 75.4 t -115.1 110.22 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.651 ' HG2' HG13 ' A' ' 11' ' ' VAL . 7.5 mtt -90.1 147.41 23.64 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' ASN . . . -168.65 -179.95 41.19 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.752 ' C ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -100.06 115.37 29.6 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.092 -1.24 . . . . 0.0 109.805 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.69 36.67 32.71 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD11 HG12 ' A' ' 12' ' ' ILE . 1.1 pp -86.43 -24.62 25.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.138 -1.213 . . . . 0.0 110.052 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . . . -91.81 -9.85 41.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.451 -0.781 . . . . 0.0 110.962 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' ' C2 ' ' C' ' 27' ' ' ' A' . 14.2 t80 -58.03 136.92 57.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 1.8 tt0 53.46 23.43 3.41 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.929 -0.482 . . . . 0.0 111.55 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.7 174.62 5.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.127 -0.983 . . . . 0.0 110.04 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -146.84 176.93 9.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -85.61 144.97 27.56 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.371 -0.831 . . . . 0.0 110.189 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.71 -35.45 4.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' HB3' HD12 ' A' ' 3' ' ' ILE . 14.4 t70 -75.6 156.64 34.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.408 -1.054 . . . . 0.0 110.111 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.4 138.63 56.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.498 -0.751 . . . . 0.0 110.231 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.51 129.58 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.475 -0.766 . . . . 0.0 109.839 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 7.9 t70 -64.54 105.53 0.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 11.3 mt-10 -63.96 -32.93 74.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.601 -0.687 . . . . 0.0 111.152 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.37 68.84 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.282 -0.886 . . . . 0.0 110.647 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 37.3 mtt-85 -86.88 -4.09 59.14 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.54 -0.725 . . . . 0.0 111.361 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 46.0 mt -70.86 113.68 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.566 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -100.56 -40.47 7.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.644 -0.66 . . . . 0.0 109.659 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -144.75 123.71 12.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.703 -0.623 . . . . 0.0 109.691 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 53' ' ' LYS . 6.0 t -94.29 162.05 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.24 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE2' HG23 ' B' ' 23' ' ' VAL . 3.6 m-85 -140.08 166.48 24.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.592 -0.693 . . . . 0.0 109.363 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.927 HG23 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -145.53 132.87 20.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.379 -0.825 . . . . 0.0 111.191 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.06 140.4 38.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.615 0.722 . . . . 0.0 111.113 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' VAL . 0.3 OUTLIER -133.44 -177.17 4.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.798 -0.564 . . . . 0.0 110.182 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASN . . . . . 0.524 ' O ' HG12 ' A' ' 55' ' ' VAL . 48.5 t30 -96.85 115.54 27.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.396 -0.815 . . . . 0.0 109.916 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -17.64 57.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.483 -0.761 . . . . 0.0 111.55 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.21 -39.97 92.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.191 -0.943 . . . . 0.0 110.808 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.0 p . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' MET . . . . . 0.409 ' HB2' ' CG2' ' B' ' 14' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.394 0.616 . . . . 0.0 110.595 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -157.79 152.37 25.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.502 -0.749 . . . . 0.0 110.201 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 37' ' ' ASP . 24.9 mt -69.86 124.51 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.402 -0.811 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.62 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.526 -0.734 . . . . 0.0 110.046 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -166.0 120.39 1.18 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.479 -0.763 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' VAL . . . . . 0.843 ' O ' " H5'" ' C' ' 25' ' ' ' A' . 89.8 t -73.47 118.97 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.726 . . . . 0.0 109.375 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 7' ' ' ILE . 4.7 mt -89.48 -31.45 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.745 . . . . 0.0 110.06 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ASN . . . . . 0.655 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t-20 -166.96 176.53 6.9 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ASN . . . . . 0.498 ' OD1' " H1'" ' C' ' 23' ' ' ' C' . 1.6 m-80 -68.4 -9.79 50.76 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.857 -1.152 . . . . 0.0 112.311 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' B' ' 25' ' ' MET . 0.0 OUTLIER -127.36 11.4 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.637 -1.289 . . . . 0.0 109.674 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 11' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 7' ' ' ILE . 7.2 t -147.18 130.29 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.036 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.783 HG23 ' CB ' ' B' ' 30' ' ' ALA . 1.9 pp -142.83 159.11 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.301 -0.874 . . . . 0.0 110.437 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.63 161.55 13.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.327 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 2' ' ' LYS . 2.8 p -163.23 133.07 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.31 -0.869 . . . . 0.0 110.566 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.63 123.58 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.466 -0.771 . . . . 0.0 109.451 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' B' ' 22' ' ' LEU . 54.4 t30 -68.25 164.85 19.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.772 -0.58 . . . . 0.0 110.352 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.71 -30.39 68.77 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.452 -0.78 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.85 -31.9 70.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.648 -0.657 . . . . 0.0 110.184 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.05 22.82 4.8 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.52 153.65 19.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.332 -1.099 . . . . 0.0 109.712 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 50' ' ' LEU . 27.8 tt0 -89.15 124.82 34.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.459 -0.775 . . . . 0.0 109.052 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.744 HD22 HG22 ' B' ' 49' ' ' THR . 75.6 mt -126.71 151.02 48.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.657 -0.652 . . . . 0.0 110.469 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' VAL . . . . . 0.759 HG23 ' CE2' ' A' ' 48' ' ' PHE . 48.6 t -115.94 141.17 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.549 HG12 HD11 ' B' ' 29' ' ' LEU . 38.7 t -127.16 105.88 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.114 -0.991 . . . . 0.0 110.976 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' B' ' 10' ' ' ASN . 0.0 OUTLIER -95.74 143.52 26.92 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLY . . . . . 0.599 ' N ' HD22 ' B' ' 29' ' ' LEU . . . -170.76 173.58 44.54 Favored Glycine 0 N--CA 1.489 2.175 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HD2' ' O2 ' ' C' ' 8' ' ' ' U' . 3.4 tpt180 -68.17 105.74 2.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.691 -0.888 . . . . 0.0 110.365 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.03 34.4 31.07 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.514 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 26' ' ' GLY . 0.6 OUTLIER -85.96 3.9 40.04 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.103 1.451 . . . . 0.0 109.457 178.833 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.783 ' CB ' HG23 ' B' ' 12' ' ' ILE . . . -136.87 10.25 3.09 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.656 -0.652 . . . . 0.0 111.337 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' B' ' 32' ' ' GLN . 49.5 t80 -64.42 135.55 56.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.121 . . . . 0.0 111.152 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' B' ' 31' ' ' PHE . 0.1 OUTLIER 38.27 46.16 0.86 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.314 0.578 . . . . 0.0 111.059 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -108.21 178.17 4.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.342 -0.849 . . . . 0.0 110.604 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 176.95 8.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.433 -0.792 . . . . 0.0 110.263 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 64.8 m -86.13 145.92 26.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.361 -0.837 . . . . 0.0 110.487 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -31.77 5.93 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ASP . . . . . 0.569 ' HB3' HD12 ' B' ' 3' ' ' ILE . 4.8 t70 -82.0 151.39 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -1.09 . . . . 0.0 110.443 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.55 141.98 50.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.405 HG22 HD13 ' B' ' 12' ' ' ILE . 81.6 t -67.89 128.58 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.502 -0.749 . . . . 0.0 110.137 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ASP . . . . . 0.48 ' O ' HG13 ' B' ' 44' ' ' ILE . 16.4 t70 -65.36 104.7 1.0 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.706 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' GLU . . . . . 0.545 ' HA ' ' CD1' ' B' ' 44' ' ' ILE . 9.1 pt-20 -65.59 -24.91 67.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.587 -0.696 . . . . 0.0 111.542 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.14 65.15 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.173 -0.954 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ARG . . . . . 0.425 ' O ' ' HA3' ' B' ' 26' ' ' GLY . 10.6 mtp180 -105.87 19.83 19.92 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.483 -0.761 . . . . 0.0 111.407 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ILE . . . . . 0.545 ' CD1' ' HA ' ' B' ' 41' ' ' GLU . 13.6 mt -85.17 116.28 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.94 -1.1 . . . . 0.0 110.286 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.34 -40.77 6.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.711 -0.618 . . . . 0.0 110.11 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LYS . . . . . 0.403 ' HB3' ' HE1' ' B' ' 48' ' ' PHE . 21.2 mttt -142.48 127.35 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.554 -0.716 . . . . 0.0 110.375 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.474 HG13 HG22 ' B' ' 24' ' ' VAL . 1.7 t -111.98 122.25 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.457 -0.777 . . . . 0.0 109.73 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.848 ' CD2' HG23 ' A' ' 23' ' ' VAL . 14.1 m-85 -103.05 148.59 25.52 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.853 -1.155 . . . . 0.0 110.159 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD22 ' B' ' 22' ' ' LEU . 59.6 p -119.04 132.08 56.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.734 -0.604 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 50' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 22.9 tp -52.89 129.94 31.78 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.603 0.716 . . . . 0.0 110.986 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 175.89 5.61 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.162 0.506 . . . . 0.0 110.342 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.31 116.09 26.28 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.414 -0.803 . . . . 0.0 110.111 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' LYS . . . . . 0.489 ' HA ' HG21 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.19 -16.62 62.33 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.584 -0.697 . . . . 0.0 111.566 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.96 -39.64 86.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.0 110.33 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 0.0 109.939 179.541 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' G' . . . . . 0.671 " O2'" " H5'" ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.485 1 C3'-C2'-C1' 105.376 4.307 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' G' . . . . . 0.671 " H5'" " O2'" ' C' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.711 1 C3'-C2'-C1' 105.901 4.89 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' A' . . . . . 0.62 " H2'" ' C6 ' ' C' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.777 1 C3'-C2'-C1' 106.342 5.38 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' U' . . . . . 0.62 ' C6 ' " H2'" ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.418 1 C3'-C2'-C1' 106.256 5.284 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' U' . . . . . 0.576 " O2'" " H5'" ' C' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.669 1 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' G' . . . . . 0.597 " H2'" ' C6 ' ' C' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.446 2.662 1 C3'-C2'-C1' 106.083 5.092 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' U' . . . . . 0.678 " O2'" " H3'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.481 1 C3'-C2'-C1' 106.165 5.184 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' U' . . . . . 0.678 " H3'" " O2'" ' C' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.258 1 C3'-C2'-C1' 106.393 5.437 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' A' . . . . . 0.565 ' N7 ' ' N2 ' ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.579 1 C3'-C2'-C1' 106.325 5.361 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' C' . . . . . 0.608 " H2'" ' C6 ' ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.735 1 C3'-C2'-C1' 106.471 5.524 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' U' . . . . . 0.625 " H2'" ' C8 ' ' C' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.794 1 C3'-C2'-C1' 105.558 4.508 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' G' . . . . . 0.625 ' C8 ' " H2'" ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.722 1 C3'-C2'-C1' 105.443 4.381 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' C' . . . . . 0.522 " H2'" ' C6 ' ' C' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.766 1 C3'-C2'-C1' 105.873 4.859 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' U' . . . . . 0.959 " H4'" ' N7 ' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.406 1 C3'-C2'-C1' 106.33 5.366 . 0.039 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' A' . . . . . 0.999 " O2'" " H5'" ' C' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.394 1 C3'-C2'-C1' 106.423 5.47 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' C' . . . . . 0.999 " H5'" " O2'" ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.638 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' G' . . . . . 0.788 " H2'" " O4'" ' C' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.239 1 C3'-C2'-C1' 106.314 5.349 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' G' . . . . . 0.788 " O4'" " H2'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.306 1 C3'-C2'-C1' 105.574 4.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' C' . . . . . 0.523 " H2'" ' C8 ' ' C' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.679 1 C3'-C2'-C1' 105.95 4.945 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' A' . . . . . 0.523 ' C8 ' " H2'" ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.448 2.865 1 C3'-C2'-C1' 105.742 4.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.99 0 C3'-C2'-C1' 105.03 3.922 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' G' . . . . . 0.738 " O2'" " H5'" ' C' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.449 2.878 1 C3'-C2'-C1' 105.46 4.4 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ' C' . . . . . 0.738 " H5'" " O2'" ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.788 1 C3'-C2'-C1' 106.079 5.088 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ' A' . . . . . 0.569 " H2'" ' C8 ' ' C' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.615 1 C3'-C2'-C1' 105.668 4.632 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' ' A' . . . . . 0.843 " H5'" ' O ' ' B' ' 6' ' ' VAL . . . . . . . . 0 O4'--C1' 1.448 2.837 1 C3'-C2'-C1' 105.468 4.409 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 26' ' ' ' A' . . . . . 0.575 ' H61' ' HB3' ' A' ' 25' ' ' MET . . . . . . . . 0 O4'--C1' 1.443 2.416 1 C3'-C2'-C1' 105.833 4.814 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ' A' . . . . . 0.57 ' N7 ' ' H2 ' ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.165 1 C3'-C2'-C1' 105.683 4.647 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 28' ' ' ' C' . . . . . 0.429 ' C6 ' " H2'" ' C' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.58 1 C3'-C2'-C1' 106.367 5.408 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.319 1 C3'-C2'-C1' 106.327 5.363 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.2 mtp . . . . . 0 N--CA 1.495 1.82 0 CA-C-O 121.319 0.58 . . . . 0.0 110.362 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.688 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -167.52 149.69 5.82 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.649 -0.657 . . . . 0.0 110.005 179.748 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.53 HD12 ' HB3' ' A' ' 37' ' ' ASP . 8.6 mt -84.08 107.1 15.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.344 -0.848 . . . . 0.0 109.797 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -76.83 -38.33 54.01 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.476 -0.765 . . . . 0.0 110.038 179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.7 mtmp? -156.18 171.66 19.8 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.546 -0.722 . . . . 0.0 110.247 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.595 ' O ' " H4'" ' C' ' 6' ' ' ' G' . 78.9 t -141.74 131.13 23.89 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 O-C-N 121.563 -0.71 . . . . 0.0 109.174 179.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.932 HD13 HG11 ' B' ' 11' ' ' VAL . 6.9 mt -103.31 -29.92 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.467 -0.771 . . . . 0.0 109.838 -179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 0.55 ' ND2' HG23 ' B' ' 7' ' ' ILE . 28.5 p-10 -167.03 165.68 15.63 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.765 -0.584 . . . . 0.0 109.728 179.841 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.532 ' HA ' ' HB3' ' A' ' 30' ' ' ALA . 69.8 m-80 -51.2 -15.37 0.35 Allowed 'General case' 0 N--CA 1.504 2.264 0 N-CA-C 113.461 0.912 . . . . 0.0 113.461 -178.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.605 ' HB3' ' O ' ' A' ' 26' ' ' GLY . 0.2 OUTLIER -110.48 -24.2 10.72 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.497 -1.377 . . . . 0.0 112.293 -177.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.651 HG13 ' HG2' ' A' ' 25' ' ' MET . 27.9 t -125.42 142.6 41.72 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.53 -1.356 . . . . 0.0 111.677 -178.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.658 HG12 HD11 ' A' ' 29' ' ' LEU . 1.7 pp -145.76 162.2 11.51 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.915 0 O-C-N 121.931 -0.48 . . . . 0.0 110.005 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -99.6 159.71 14.84 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.29 -0.881 . . . . 0.0 110.069 179.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.688 HG23 ' O ' ' A' ' 2' ' ' LYS . 2.8 p -160.49 146.42 5.65 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.937 0 O-C-N 121.387 -0.82 . . . . 0.0 110.467 -179.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 72.7 t -108.34 137.38 40.3 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.709 0 O-C-N 121.455 -0.778 . . . . 0.0 109.437 179.479 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASN . . . . . . . . . . . . . 49.3 p30 -100.9 -164.33 1.1 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 121.506 -0.746 . . . . 0.0 110.851 -179.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -72.74 -21.05 61.08 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.45 -0.782 . . . . 0.0 111.217 -179.522 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 5.0 mp0 -73.78 -15.16 61.2 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.326 -0.859 . . . . 0.0 110.951 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 85.53 20.22 56.92 Favored Glycine 0 N--CA 1.493 2.468 0 N-CA-C 109.998 -1.241 . . . . 0.0 109.998 -179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -106.45 160.62 15.27 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.369 -1.077 . . . . 0.0 109.927 179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.2 tt0 -96.29 131.7 42.53 Favored 'General case' 0 N--CA 1.485 1.291 0 O-C-N 121.349 -0.845 . . . . 0.0 109.689 179.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . 0.927 HD23 HG23 ' A' ' 49' ' ' THR . 1.9 mp -128.19 149.48 50.42 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.702 -0.624 . . . . 0.0 109.426 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.848 HG23 ' CD2' ' B' ' 48' ' ' PHE . 93.8 t -109.84 136.75 44.83 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.221 -0.924 . . . . 0.0 109.57 179.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.476 ' CG1' HG12 ' A' ' 44' ' ' ILE . 75.4 t -115.1 110.22 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.376 -0.827 . . . . 0.0 110.479 -179.354 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.651 ' HG2' HG13 ' A' ' 11' ' ' VAL . 7.5 mtt -90.1 147.41 23.64 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 179.025 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.605 ' O ' ' HB3' ' A' ' 10' ' ' ASN . . . -168.65 -179.95 41.19 Favored Glycine 0 N--CA 1.488 2.105 0 N-CA-C 107.947 -2.061 . . . . 0.0 107.947 -179.834 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.752 ' C ' ' HD2' ' A' ' 27' ' ' ARG . 0.0 OUTLIER -100.06 115.37 29.6 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.092 -1.24 . . . . 0.0 109.805 179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 50.69 36.67 32.71 Favored Glycine 0 N--CA 1.498 2.79 0 N-CA-C 111.433 -0.667 . . . . 0.0 111.433 178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LEU . . . . . 0.658 HD11 HG12 ' A' ' 12' ' ' ILE . 1.1 pp -86.43 -24.62 25.62 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.138 -1.213 . . . . 0.0 110.052 178.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.564 ' HB2' ' CG2' ' A' ' 12' ' ' ILE . . . -91.81 -9.85 41.99 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.451 -0.781 . . . . 0.0 110.962 179.758 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.497 ' CZ ' ' C2 ' ' C' ' 27' ' ' ' A' . 14.2 t80 -58.03 136.92 57.22 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.104 -0.997 . . . . 0.0 110.347 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.483 ' HB2' ' CE2' ' A' ' 31' ' ' PHE . 1.8 tt0 53.46 23.43 3.41 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 121.929 -0.482 . . . . 0.0 111.55 179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -110.7 174.62 5.77 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.127 -0.983 . . . . 0.0 110.04 179.509 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 1.2 ptpt -146.84 176.93 9.51 Favored 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.315 -0.866 . . . . 0.0 110.579 -179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 2.1 m -85.61 144.97 27.56 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.371 -0.831 . . . . 0.0 110.189 179.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 111.71 -35.45 4.7 Favored Glycine 0 N--CA 1.491 2.316 0 N-CA-C 109.961 -1.256 . . . . 0.0 109.961 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASP . . . . . 0.53 ' HB3' HD12 ' A' ' 3' ' ' ILE . 14.4 t70 -75.6 156.64 34.75 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.408 -1.054 . . . . 0.0 110.111 179.814 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -67.4 138.63 56.84 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.498 -0.751 . . . . 0.0 110.231 179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -68.51 129.58 33.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.783 0 O-C-N 121.475 -0.766 . . . . 0.0 109.839 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.471 ' HB3' ' HB2' ' A' ' 43' ' ' ARG . 7.9 t70 -64.54 105.53 0.97 Allowed 'General case' 0 N--CA 1.496 1.835 0 O-C-N 121.49 -0.756 . . . . 0.0 110.083 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLU . . . . . 0.495 ' HA ' ' CD1' ' A' ' 44' ' ' ILE . 11.3 mt-10 -63.96 -32.93 74.64 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 121.601 -0.687 . . . . 0.0 111.152 -179.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.42 -29.37 68.84 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.282 -0.886 . . . . 0.0 110.647 179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HB2' ' HB3' ' A' ' 40' ' ' ASP . 37.3 mtt-85 -86.88 -4.09 59.14 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.54 -0.725 . . . . 0.0 111.361 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.495 ' CD1' ' HA ' ' A' ' 41' ' ' GLU . 46.0 mt -70.86 113.68 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.801 0 O-C-N 121.064 -1.022 . . . . 0.0 110.566 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 17.8 mt-10 -100.56 -40.47 7.4 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.644 -0.66 . . . . 0.0 109.659 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' HG2' HD11 ' B' ' 50' ' ' LEU . 0.2 OUTLIER -144.75 123.71 12.76 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.703 -0.623 . . . . 0.0 109.691 179.666 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.489 HG21 ' HA ' ' B' ' 53' ' ' LYS . 6.0 t -94.29 162.05 2.48 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.269 -0.894 . . . . 0.0 110.24 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.759 ' CE2' HG23 ' B' ' 23' ' ' VAL . 3.6 m-85 -140.08 166.48 24.54 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.592 -0.693 . . . . 0.0 109.363 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.927 HG23 HD23 ' A' ' 22' ' ' LEU . 0.0 OUTLIER -145.53 132.87 20.62 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.379 -0.825 . . . . 0.0 111.191 -178.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LEU . . . . . . . . . . . . . 37.4 tp -55.06 140.4 38.1 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.615 0.722 . . . . 0.0 111.113 179.736 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . 0.46 ' N ' ' O ' ' B' ' 47' ' ' VAL . 0.3 OUTLIER -133.44 -177.17 4.41 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.798 -0.564 . . . . 0.0 110.182 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASN . . . . . 0.524 ' O ' HG12 ' A' ' 55' ' ' VAL . 48.5 t30 -96.85 115.54 27.61 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.396 -0.815 . . . . 0.0 109.916 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.97 -17.64 57.73 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.483 -0.761 . . . . 0.0 111.55 -179.692 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -61.21 -39.97 92.2 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.191 -0.943 . . . . 0.0 110.808 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . 0.524 HG12 ' O ' ' A' ' 52' ' ' ASN . 4.0 p . . . . . 0 N--CA 1.492 1.672 0 O-C-N 121.366 -0.834 . . . . 0.0 110.575 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' MET . . . . . 0.409 ' HB2' ' CG2' ' B' ' 14' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.496 1.835 0 CA-C-O 121.394 0.616 . . . . 0.0 110.595 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' LYS . . . . . 0.675 ' O ' HG23 ' B' ' 14' ' ' VAL . 0.0 OUTLIER -157.79 152.37 25.0 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.502 -0.749 . . . . 0.0 110.201 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ILE . . . . . 0.569 HD12 ' HB3' ' B' ' 37' ' ' ASP . 24.9 mt -69.86 124.51 26.01 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.402 -0.811 . . . . 0.0 110.124 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ALA . . . . . . . . . . . . . . . -91.62 -34.4 14.72 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.526 -0.734 . . . . 0.0 110.046 179.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -166.0 120.39 1.18 Allowed 'General case' 0 N--CA 1.495 1.799 0 O-C-N 121.479 -0.763 . . . . 0.0 110.388 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' VAL . . . . . 0.843 ' O ' " H5'" ' C' ' 25' ' ' ' A' . 89.8 t -73.47 118.97 19.65 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.793 0 O-C-N 121.539 -0.726 . . . . 0.0 109.375 179.362 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ILE . . . . . 0.558 HG22 ' CG2' ' A' ' 7' ' ' ILE . 4.7 mt -89.48 -31.45 5.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.821 0 O-C-N 121.507 -0.745 . . . . 0.0 110.06 -179.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ASN . . . . . 0.655 ' HB2' HG22 ' A' ' 7' ' ' ILE . 3.1 t-20 -166.96 176.53 6.9 Favored 'General case' 0 N--CA 1.496 1.851 0 N-CA-C 109.016 -0.735 . . . . 0.0 109.016 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ASN . . . . . 0.498 ' OD1' " H1'" ' C' ' 23' ' ' ' C' . 1.6 m-80 -68.4 -9.79 50.76 Favored 'General case' 0 N--CA 1.508 2.429 0 O-C-N 120.857 -1.152 . . . . 0.0 112.311 -179.107 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ASN . . . . . 0.52 ' O ' ' HA ' ' B' ' 25' ' ' MET . 0.0 OUTLIER -127.36 11.4 6.89 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.637 -1.289 . . . . 0.0 109.674 179.764 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' VAL . . . . . 0.932 HG11 HD13 ' A' ' 7' ' ' ILE . 7.2 t -147.18 130.29 8.47 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.635 0 O-C-N 121.245 -0.909 . . . . 0.0 110.036 -179.364 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.783 HG23 ' CB ' ' B' ' 30' ' ' ALA . 1.9 pp -142.83 159.11 18.44 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.049 0 O-C-N 121.301 -0.874 . . . . 0.0 110.437 179.102 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.63 161.55 13.6 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.511 -0.743 . . . . 0.0 109.327 179.056 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.675 HG23 ' O ' ' B' ' 2' ' ' LYS . 2.8 p -163.23 133.07 0.75 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.31 -0.869 . . . . 0.0 110.566 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' VAL . . . . . . . . . . . . . 85.0 t -84.63 123.58 39.2 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.466 -0.771 . . . . 0.0 109.451 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' ASN . . . . . 0.482 ' HB2' ' CD1' ' B' ' 22' ' ' LEU . 54.4 t30 -68.25 164.85 19.68 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.772 -0.58 . . . . 0.0 110.352 -179.77 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -59.71 -30.39 68.77 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 121.452 -0.78 . . . . 0.0 109.744 179.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -69.85 -31.9 70.0 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.648 -0.657 . . . . 0.0 110.184 179.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLY . . . . . . . . . . . . . . . 115.05 22.82 4.8 Favored Glycine 0 N--CA 1.49 2.247 0 N-CA-C 110.1 -1.2 . . . . 0.0 110.1 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.52 153.65 19.2 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.332 -1.099 . . . . 0.0 109.712 179.604 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLU . . . . . 0.406 ' HB3' ' HB2' ' B' ' 50' ' ' LEU . 27.8 tt0 -89.15 124.82 34.7 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 121.459 -0.775 . . . . 0.0 109.052 179.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.744 HD22 HG22 ' B' ' 49' ' ' THR . 75.6 mt -126.71 151.02 48.69 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.657 -0.652 . . . . 0.0 110.469 -179.275 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' VAL . . . . . 0.759 HG23 ' CE2' ' A' ' 48' ' ' PHE . 48.6 t -115.94 141.17 34.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.549 HG12 HD11 ' B' ' 29' ' ' LEU . 38.7 t -127.16 105.88 14.56 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 O-C-N 121.114 -0.991 . . . . 0.0 110.976 -178.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' MET . . . . . 0.52 ' HA ' ' O ' ' B' ' 10' ' ' ASN . 0.0 OUTLIER -95.74 143.52 26.92 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 178.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLY . . . . . 0.599 ' N ' HD22 ' B' ' 29' ' ' LEU . . . -170.76 173.58 44.54 Favored Glycine 0 N--CA 1.489 2.175 0 C-N-CA 119.866 -1.159 . . . . 0.0 110.207 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.443 ' HD2' ' O2 ' ' C' ' 8' ' ' ' U' . 3.4 tpt180 -68.17 105.74 2.19 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.691 -0.888 . . . . 0.0 110.365 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' GLY . . . . . . . . . . . . . . . 51.03 34.4 31.07 Favored Glycine 0 N--CA 1.489 2.228 0 C-N-CA 120.925 -0.655 . . . . 0.0 111.514 179.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' LEU . . . . . 0.599 HD22 ' N ' ' B' ' 26' ' ' GLY . 0.6 OUTLIER -85.96 3.9 40.04 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 119.103 1.451 . . . . 0.0 109.457 178.833 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.783 ' CB ' HG23 ' B' ' 12' ' ' ILE . . . -136.87 10.25 3.09 Favored 'General case' 0 N--CA 1.486 1.33 0 O-C-N 121.656 -0.652 . . . . 0.0 111.337 -179.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' PHE . . . . . 0.49 ' CE2' ' HB2' ' B' ' 32' ' ' GLN . 49.5 t80 -64.42 135.55 56.22 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 120.907 -1.121 . . . . 0.0 111.152 -178.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLN . . . . . 0.49 ' HB2' ' CE2' ' B' ' 31' ' ' PHE . 0.1 OUTLIER 38.27 46.16 0.86 Allowed 'General case' 0 N--CA 1.499 2.015 0 CA-C-O 121.314 0.578 . . . . 0.0 111.059 178.915 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -108.21 178.17 4.58 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.342 -0.849 . . . . 0.0 110.604 -179.479 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.19 176.95 8.94 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.433 -0.792 . . . . 0.0 110.263 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' SER . . . . . . . . . . . . . 64.8 m -86.13 145.92 26.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.361 -0.837 . . . . 0.0 110.487 -179.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.94 -31.77 5.93 Favored Glycine 0 N--CA 1.491 2.35 0 N-CA-C 110.369 -1.093 . . . . 0.0 110.369 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ASP . . . . . 0.569 ' HB3' HD12 ' B' ' 3' ' ' ILE . 4.8 t70 -82.0 151.39 27.16 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.347 -1.09 . . . . 0.0 110.443 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.55 141.98 50.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.469 -0.769 . . . . 0.0 109.988 179.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.405 HG22 HD13 ' B' ' 12' ' ' ILE . 81.6 t -67.89 128.58 31.46 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 121.502 -0.749 . . . . 0.0 110.137 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ASP . . . . . 0.48 ' O ' HG13 ' B' ' 44' ' ' ILE . 16.4 t70 -65.36 104.7 1.0 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.571 -0.706 . . . . 0.0 110.003 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' GLU . . . . . 0.545 ' HA ' ' CD1' ' B' ' 44' ' ' ILE . 9.1 pt-20 -65.59 -24.91 67.18 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.587 -0.696 . . . . 0.0 111.542 -179.456 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.68 -26.14 65.15 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.173 -0.954 . . . . 0.0 110.958 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ARG . . . . . 0.425 ' O ' ' HA3' ' B' ' 26' ' ' GLY . 10.6 mtp180 -105.87 19.83 19.92 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.483 -0.761 . . . . 0.0 111.407 -179.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ILE . . . . . 0.545 ' CD1' ' HA ' ' B' ' 41' ' ' GLU . 13.6 mt -85.17 116.28 28.32 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.846 0 O-C-N 120.94 -1.1 . . . . 0.0 110.286 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' GLU . . . . . . . . . . . . . 26.6 mt-10 -101.34 -40.77 6.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.711 -0.618 . . . . 0.0 110.11 179.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LYS . . . . . 0.403 ' HB3' ' HE1' ' B' ' 48' ' ' PHE . 21.2 mttt -142.48 127.35 18.26 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.554 -0.716 . . . . 0.0 110.375 -179.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.474 HG13 HG22 ' B' ' 24' ' ' VAL . 1.7 t -111.98 122.25 65.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.457 -0.777 . . . . 0.0 109.73 179.672 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.848 ' CD2' HG23 ' A' ' 23' ' ' VAL . 14.1 m-85 -103.05 148.59 25.52 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 120.853 -1.155 . . . . 0.0 110.159 179.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' THR . . . . . 0.744 HG22 HD22 ' B' ' 22' ' ' LEU . 59.6 p -119.04 132.08 56.02 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.734 -0.604 . . . . 0.0 111.272 -179.12 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' LEU . . . . . 0.432 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 22.9 tp -52.89 129.94 31.78 Favored 'General case' 0 N--CA 1.494 1.732 0 CA-C-O 121.603 0.716 . . . . 0.0 110.986 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -119.4 175.89 5.61 Favored 'General case' 0 N--CA 1.493 1.68 0 CA-C-O 121.162 0.506 . . . . 0.0 110.342 179.788 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASN . . . . . . . . . . . . . 57.0 t30 -88.31 116.09 26.28 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.414 -0.803 . . . . 0.0 110.111 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' LYS . . . . . 0.489 ' HA ' HG21 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -64.19 -16.62 62.33 Favored 'General case' 0 N--CA 1.499 2.018 0 O-C-N 121.584 -0.697 . . . . 0.0 111.566 -179.723 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -59.96 -39.64 86.28 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.156 -0.965 . . . . 0.0 110.33 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' VAL . . . . . . . . . . . . . 71.8 t . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.425 -0.797 . . . . 0.0 109.939 179.541 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' G' . . . . . 0.671 " O2'" " H5'" ' C' ' 2' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.444 2.485 1 C3'-C2'-C1' 105.376 4.307 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' G' . . . . . 0.671 " H5'" " O2'" ' C' ' 1' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.711 1 C3'-C2'-C1' 105.901 4.89 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' A' . . . . . 0.62 " H2'" ' C6 ' ' C' ' 4' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.777 1 C3'-C2'-C1' 106.342 5.38 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' U' . . . . . 0.62 ' C6 ' " H2'" ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.418 1 C3'-C2'-C1' 106.256 5.284 . 0.063 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' U' . . . . . 0.576 " O2'" " H5'" ' C' ' 6' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.446 2.669 1 C3'-C2'-C1' 105.895 4.883 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' G' . . . . . 0.597 " H2'" ' C6 ' ' C' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.446 2.662 1 C3'-C2'-C1' 106.083 5.092 . 0.128 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' U' . . . . . 0.678 " O2'" " H3'" ' C' ' 8' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.444 2.481 1 C3'-C2'-C1' 106.165 5.184 . 0.084 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' U' . . . . . 0.678 " H3'" " O2'" ' C' ' 7' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.441 2.258 1 C3'-C2'-C1' 106.393 5.437 OUTLIER-EPSILON 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' A' . . . . . 0.565 ' N7 ' ' N2 ' ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.445 2.579 1 C3'-C2'-C1' 106.325 5.361 OUTLIER-DELTA 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' C' . . . . . 0.608 " H2'" ' C6 ' ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.735 1 C3'-C2'-C1' 106.471 5.524 . 0.0 OUTLIER '7D dist 1c' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' U' . . . . . 0.625 " H2'" ' C8 ' ' C' ' 12' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.448 2.794 1 C3'-C2'-C1' 105.558 4.508 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' G' . . . . . 0.625 ' C8 ' " H2'" ' C' ' 11' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.722 1 C3'-C2'-C1' 105.443 4.381 . 0.277 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' C' . . . . . 0.522 " H2'" ' C6 ' ' C' ' 14' ' ' ' U' . . . . . . . . 0 O4'--C1' 1.447 2.766 1 C3'-C2'-C1' 105.873 4.859 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' U' . . . . . 0.959 " H4'" ' N7 ' ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.443 2.406 1 C3'-C2'-C1' 106.33 5.366 . 0.039 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' A' . . . . . 0.999 " O2'" " H5'" ' C' ' 16' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.443 2.394 1 C3'-C2'-C1' 106.423 5.47 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' C' . . . . . 0.999 " H5'" " O2'" ' C' ' 15' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.638 1 C3'-C2'-C1' 105.508 4.453 . 0.0 OUTLIER alpha 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' G' . . . . . 0.788 " H2'" " O4'" ' C' ' 18' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.441 2.239 1 C3'-C2'-C1' 106.314 5.349 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0k wannabe' 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' G' . . . . . 0.788 " O4'" " H2'" ' C' ' 17' ' ' ' G' . . . . . . . . 0 P--O5' 1.616 2.306 1 C3'-C2'-C1' 105.574 4.526 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' C' . . . . . 0.523 " H2'" ' C8 ' ' C' ' 20' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.446 2.679 1 C3'-C2'-C1' 105.95 4.945 . 0.036 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' A' . . . . . 0.523 ' C8 ' " H2'" ' C' ' 19' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.448 2.865 1 C3'-C2'-C1' 105.742 4.713 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.45 2.99 0 C3'-C2'-C1' 105.03 3.922 . 0.335 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' G' . . . . . 0.738 " O2'" " H5'" ' C' ' 23' ' ' ' C' . . . . . . . . 0 O4'--C1' 1.449 2.878 1 C3'-C2'-C1' 105.46 4.4 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ' C' . . . . . 0.738 " H5'" " O2'" ' C' ' 22' ' ' ' G' . . . . . . . . 0 O4'--C1' 1.447 2.788 1 C3'-C2'-C1' 106.079 5.088 . 0.182 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ' A' . . . . . 0.569 " H2'" ' C8 ' ' C' ' 25' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.615 1 C3'-C2'-C1' 105.668 4.632 . 0.241 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' ' A' . . . . . 0.843 " H5'" ' O ' ' B' ' 6' ' ' VAL . . . . . . . . 0 O4'--C1' 1.448 2.837 1 C3'-C2'-C1' 105.468 4.409 . 0.168 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' ' A' . . . . . 0.575 ' H61' ' HB3' ' A' ' 25' ' ' MET . . . . . . . . 0 O4'--C1' 1.443 2.416 1 C3'-C2'-C1' 105.833 4.814 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 4 4 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ' A' . . . . . 0.57 ' N7 ' ' H2 ' ' C' ' 3' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.452 3.165 1 C3'-C2'-C1' 105.683 4.647 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' ' C' . . . . . 0.429 ' C6 ' " H2'" ' C' ' 27' ' ' ' A' . . . . . . . . 0 O4'--C1' 1.445 2.58 1 C3'-C2'-C1' 106.367 5.408 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.442 2.319 1 C3'-C2'-C1' 106.327 5.363 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 2 2 . 1 stop_ save_