data_1hji_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 1hji _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 core ' B' B ' 24' ' ' SER . . . . . 0.449 ' O ' ' HB2' ' B' ' 28' ' ' ARG . 65.3 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.202 0.525 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.449 ' HB2' ' O ' ' B' ' 24' ' ' SER . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.563 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.429 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.45 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.463 ' O ' ' N ' ' B' ' 36' ' ' ARG . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.25 0.548 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.433 ' HG2' ' O ' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.473 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.58 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.473 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.292 0.568 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.464 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 36' ' ' ARG . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 32' ' ' ARG . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.436 ' O ' ' HG2' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.259 0.552 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.466 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' NH1' ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' B' ' 36' ' ' ARG . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' B' ' 37' ' ' ILE . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 97.2 m-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.462 ' HG2' ' O ' ' B' ' 29' ' ' ARG . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.456 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.426 ' CD1' ' ND2' ' B' ' 43' ' ' ASN . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 38' ' ' ALA . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' B' ' 39' ' ' TYR . 74.9 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.284 0.564 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.408 ' CZ ' ' CZ ' ' B' ' 32' ' ' ARG . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ARG . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.522 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.583 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.457 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.522 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.221 0.534 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' NH2' ' B' ' 32' ' ' ARG . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.534 ' NH2' ' NH1' ' B' ' 28' ' ' ARG . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.577 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.301 0.572 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.465 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.431 ' HG3' ' O ' ' B' ' 28' ' ' ARG . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 37' ' ' ILE . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.521 HD11 HG22 ' B' ' 37' ' ' ILE . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.328 0.585 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.433 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.519 ' NH1' ' HB2' ' B' ' 40' ' ' ALA . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . 0.519 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.279 0.561 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.457 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.47 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 36' ' ' ARG . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.5 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.149 0.5 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.455 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.54 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.54 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' B' ' 39' ' ' TYR . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . 0.437 ' CE1' ' ND2' ' B' ' 43' ' ' ASN . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.544 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.235 0.54 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.461 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.477 ' HA ' ' HB2' ' B' ' 35' ' ' LYS . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.588 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' B' ' 32' ' ' ARG . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.412 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 93.6 p . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.306 0.575 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.535 ' N ' ' O ' ' B' ' 32' ' ' ARG . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.458 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 81.9 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.482 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.548 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.548 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.318 0.58 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.551 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.551 ' CG ' ' HB3' ' B' ' 32' ' ' ARG . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' SER . . . . . 0.462 ' HA ' ' HD2' ' B' ' 27' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.287 0.565 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . 0.462 ' HD2' ' HA ' ' B' ' 24' ' ' SER . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.525 ' NH2' ' NH1' ' B' ' 32' ' ' ARG . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.525 ' NH1' ' NH2' ' B' ' 28' ' ' ARG . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.574 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.451 ' N ' ' O ' ' B' ' 32' ' ' ARG . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.238 0.542 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.48 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.543 ' CB ' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.586 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.586 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.543 ' NE ' ' CB ' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.55 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.249 0.547 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ARG . . . . . 0.532 ' CG ' ' O ' ' B' ' 28' ' ' ARG . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' LYS . . . . . 0.407 ' HB2' ' HE3' ' B' ' 35' ' ' LYS . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.212 0.53 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -117.81 141.89 47.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.196 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.3 -16.81 79.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.481 ' CD2' ' CG ' ' B' ' 26' ' ' ASP . 50.2 mt -97.67 149.55 22.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.235 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 21.6 p -113.16 -179.15 3.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -0.944 . . . . 0.0 110.118 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.49 ' HA ' ' OP2' ' A' ' 3' ' ' ' C' . 65.3 p -54.84 -17.38 3.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.481 ' CG ' ' CD2' ' B' ' 22' ' ' LEU . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.576 ' NH1' ' H41' ' A' ' 4' ' ' ' C' . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.526 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.524 ' O ' ' N ' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.454 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.526 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.563 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.563 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.454 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.436 ' HG2' " O2'" ' A' ' 7' ' ' ' A' . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -100.2 -10.09 21.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -65.74 -30.17 70.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.914 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.79 -7.41 62.56 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.485 ' CD1' ' HB3' ' B' ' 26' ' ' ASP . 32.4 tp -98.61 119.4 37.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -1.203 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.6 p -111.6 167.11 10.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.47 ' OG ' ' OP2' ' A' ' 2' ' ' ' C' . 2.8 p -51.45 -27.48 10.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.0 110.185 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.485 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.441 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.402 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.537 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.422 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.478 ' HA ' " H4'" ' A' ' 7' ' ' ' A' . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.529 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -121.0 126.67 50.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 CA-C-O 117.953 -1.471 . . . . 0.0 109.495 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.639 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.251 0.548 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -63.61 -22.24 66.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.891 . . . . 0.0 110.194 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.97 9.49 59.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.416 HD22 ' CG ' ' B' ' 26' ' ' ASP . 17.9 mt -121.29 117.94 28.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -1.157 . . . . 0.0 110.18 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 46.8 p -106.0 170.77 7.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.639 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 25.3 m -49.93 -35.04 22.43 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.533 ' NH2' ' OP1' ' A' ' 3' ' ' ' C' . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.433 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.548 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.58 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.58 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.486 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.432 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -109.32 -7.17 15.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.547 ' C8 ' ' CE2' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.238 0.542 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.75 -23.54 66.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 -22.89 53.16 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.525 ' CD1' ' HB3' ' B' ' 26' ' ' ASP . 12.0 tp -91.89 116.51 28.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -1.179 . . . . 0.0 110.195 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -97.49 -175.84 3.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.927 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.434 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t -63.56 -32.47 73.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.525 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.464 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 32' ' ' ARG . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.547 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.436 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' B' ' 44' ' ' GLY . 76.2 m-20 -124.13 111.2 15.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' B' ' 43' ' ' ASN . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.558 ' C6 ' ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.249 0.547 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -57.88 -21.59 43.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.17 41.17 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.404 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 99.0 mt -111.35 129.96 55.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.236 -1.155 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -104.21 170.95 7.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.0 110.21 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.558 ' OG ' ' C6 ' ' A' ' 2' ' ' ' C' . 29.4 m -46.28 -42.75 14.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 110.193 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.477 ' O ' ' N ' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.461 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.527 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.477 ' N ' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.446 ' HB3' ' NH1' ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.54 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.582 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.447 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.509 ' HG3' ' N ' ' B' ' 37' ' ' ILE . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.518 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.404 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 97.2 m-20 -107.71 121.87 45.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.595 ' C6 ' ' HB2' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.572 HO2' ' HD2' ' B' ' 36' ' ' ARG . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.633 ' N7 ' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.248 0.547 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -109.79 142.88 40.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.224 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.0 -166.77 54.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.425 ' HG ' ' OD2' ' B' ' 26' ' ' ASP . 8.7 tt -96.69 129.4 44.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.191 -1.182 . . . . 0.0 110.337 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.418 ' O ' ' C ' ' B' ' 24' ' ' SER . 1.5 t -128.63 169.32 14.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.005 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.595 ' HB2' ' C6 ' ' A' ' 2' ' ' ' C' . 7.6 t -43.9 -40.14 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.409 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.506 ' HD3' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.43 ' HG2' ' OP1' ' A' ' 8' ' ' ' A' . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.633 ' NH1' ' N7 ' ' A' ' 9' ' ' ' A' . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.511 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.404 ' NZ ' ' HB2' ' B' ' 38' ' ' ALA . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' B' ' 39' ' ' TYR . 74.9 m-20 -117.05 116.39 27.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -105.8 121.79 44.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -55.46 -29.01 52.58 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 8.0 mp -108.86 144.83 36.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -1.145 . . . . 0.0 110.101 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' B' ' 24' ' ' SER . 2.1 t -107.89 -169.27 1.49 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.461 ' HA ' ' OP2' ' A' ' 3' ' ' ' C' . 33.5 p -63.93 -26.9 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 110.128 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.471 ' O ' ' N ' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.413 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.529 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' B' ' 25' ' ' ARG . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.522 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.583 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.583 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.457 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.522 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.53 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.57 119.77 34.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 117.918 -1.49 . . . . 0.0 109.511 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.622 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -62.92 -21.68 66.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.34 75.96 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 92.1 mt -79.06 160.47 27.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -1.154 . . . . 0.0 110.111 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.465 ' OG1' ' OP2' ' A' ' 2' ' ' ' C' . 4.7 t -127.25 -175.96 3.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -0.892 . . . . 0.0 110.334 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.622 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 66.7 m -59.81 -26.25 65.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.473 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.453 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.478 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.536 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.473 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.577 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.464 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.507 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.45 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -105.44 127.78 53.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.953 -1.47 . . . . 0.0 109.46 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.547 ' N3 ' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.256 0.55 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -66.81 -21.46 66.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.95 -163.7 45.78 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.526 ' CB ' ' OD2' ' B' ' 26' ' ' ASP . 6.5 mp -106.22 127.28 53.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -1.142 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -80.44 176.16 10.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.898 . . . . 0.0 110.163 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.534 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 91.0 p -58.83 -23.07 60.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.102 -0.999 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.526 ' OD2' ' CB ' ' B' ' 22' ' ' LEU . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.441 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.431 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.504 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' CZ ' ' O6 ' ' A' ' 6' ' ' ' G' . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.564 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.564 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.421 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.547 ' NH1' ' N3 ' ' A' ' 7' ' ' ' A' . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.521 HD11 HG22 ' B' ' 37' ' ' ILE . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.515 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -123.67 139.21 54.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.546 ' OP2' ' CA ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.521 " O2'" ' CD ' ' B' ' 36' ' ' ARG . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.622 ' H61' ' NE ' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' B' ' 19' ' ' ASP . 43.6 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.2 0.524 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -71.86 -17.66 62.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 0.0 110.161 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.59 -149.95 2.0 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.461 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 58.4 mt -74.27 140.59 45.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -1.128 . . . . 0.0 110.144 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 44.0 p -121.74 173.51 7.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.247 -0.908 . . . . 0.0 110.176 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.546 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 94.5 p -44.6 -43.02 7.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 110.085 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.452 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.433 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.463 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.579 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.579 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.401 ' O ' " H4'" ' A' ' 7' ' ' ' A' . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.622 ' NE ' ' H61' ' A' ' 9' ' ' ' A' . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.461 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . 0.519 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.461 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 -102.05 -2.72 28.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.664 ' C8 ' ' CE2' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.27 0.557 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -121.63 141.3 51.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.18 -147.41 13.96 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.546 ' CD2' ' N ' ' B' ' 22' ' ' LEU . 3.6 mm? -81.35 133.97 35.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.243 -1.151 . . . . 0.0 110.187 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 25' ' ' ARG . 23.8 p -87.42 35.64 0.72 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.462 ' HB2' ' OP2' ' A' ' 2' ' ' ' C' . 2.2 t 67.23 -58.59 0.41 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.385 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' B' ' 23' ' ' THR . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.479 ' HB3' HD11 ' B' ' 22' ' ' LEU . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.456 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.47 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.504 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.5 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.664 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -90.88 130.41 36.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.637 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.406 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 52.3 t0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.329 0.585 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.406 ' HB2' ' O ' ' B' ' 19' ' ' ASP . 97.5 mtt180 54.29 40.44 31.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.52 -155.64 7.86 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.43 HD22 ' OD2' ' B' ' 26' ' ' ASP . 22.3 mt -97.11 119.79 36.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.211 -1.17 . . . . 0.0 110.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' B' ' 25' ' ' ARG . 54.1 p -106.84 164.26 12.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.216 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.637 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 54.9 m -42.24 -46.44 4.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.254 -0.904 . . . . 0.0 110.26 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' B' ' 23' ' ' THR . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' B' ' 23' ' ' THR . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.54 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.511 ' O ' ' N ' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.54 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.533 ' HD2' ' H61' ' A' ' 9' ' ' ' A' . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.544 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.472 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.544 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 -102.68 -10.45 19.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 19' ' ' ASP . 43.6 p30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.252 0.549 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -114.38 128.2 56.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 0.0 110.23 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.17 -178.05 38.01 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.435 ' HG ' ' OD2' ' B' ' 26' ' ' ASP . 8.2 tt -74.96 128.5 35.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -1.158 . . . . 0.0 110.135 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 77.7 p -115.8 168.0 10.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.21 -0.931 . . . . 0.0 110.238 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.522 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 80.6 p -49.2 -32.39 10.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.9 . . . . 0.0 110.094 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.461 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.499 ' HG3' ' OP2' ' A' ' 3' ' ' ' C' . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.489 ' HD3' ' OP2' ' A' ' 4' ' ' ' C' . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.461 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.5 ' HG2' ' OP1' ' A' ' 8' ' ' ' A' . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.588 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.588 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.477 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.496 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.497 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.59 -8.09 55.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.508 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.69 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.193 0.52 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -80.67 136.37 36.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 0.0 110.265 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.45 -30.59 76.8 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 82.8 mt -113.53 106.76 14.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -1.106 . . . . 0.0 110.099 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -86.77 -166.22 1.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.306 -0.871 . . . . 0.0 110.149 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.494 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 93.6 p -67.97 -46.77 70.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 109.784 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.464 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.535 ' O ' ' N ' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.416 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.543 ' HD2' " C4'" ' A' ' 7' ' ' ' A' . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.534 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.69 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -113.57 133.3 55.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.928 -1.484 . . . . 0.0 109.543 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.571 " H1'" ' CD1' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.12 -30.76 69.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.226 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.47 -8.22 62.36 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.427 HD21 ' CG ' ' B' ' 26' ' ' ASP . 68.2 mt -117.33 147.54 42.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -1.179 . . . . 0.0 110.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 32.8 p -117.85 -171.59 2.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.481 ' HA ' ' OP2' ' A' ' 3' ' ' ' C' . 81.9 p -66.84 -18.04 65.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 110.313 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.462 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.427 ' CG ' HD21 ' B' ' 22' ' ' LEU . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.4 ' NH1' HD11 ' B' ' 22' ' ' LEU . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.53 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.462 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.548 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.415 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.548 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.571 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -127.5 119.03 25.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.003 -1.443 . . . . 0.0 109.5 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.556 ' OP2' ' N ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.587 " H1'" ' CD1' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' B' ' 19' ' ' ASP . 46.5 p-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.21 0.529 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' B' ' 22' ' ' LEU . 92.6 mtt180 -65.69 -27.57 68.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 86.35 -13.27 58.31 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.574 ' CD2' ' N ' ' B' ' 22' ' ' LEU . 3.1 mm? -102.72 117.47 34.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -1.153 . . . . 0.0 110.196 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 33.3 p -68.07 179.51 1.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 110.169 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.556 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 14.3 p -63.4 -16.26 59.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 109.866 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.482 ' OD2' ' CD1' ' B' ' 22' ' ' LEU . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.551 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.482 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.551 ' CG ' ' HB3' ' B' ' 32' ' ' ARG . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.587 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.496 ' O ' ' CD1' ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -129.2 105.73 8.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.0 p30 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -71.09 -25.64 62.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.62 39.85 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.464 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 9.0 tt -103.83 131.11 51.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -1.133 . . . . 0.0 110.208 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.448 ' O ' ' HB2' ' B' ' 26' ' ' ASP . 45.9 p -121.11 170.28 9.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.525 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 32.6 t -50.83 -40.02 54.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -0.903 . . . . 0.0 110.019 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.464 ' OD2' ' HA ' ' B' ' 22' ' ' LEU . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . 0.465 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.547 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.47 ' N ' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.433 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.574 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.574 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.475 ' HG2' " O2'" ' A' ' 7' ' ' ' A' . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.412 ' CE2' ' C4 ' ' A' ' 7' ' ' ' A' . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.05 -22.36 21.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.535 ' OP2' ' N ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.514 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.212 0.53 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.41 -19.6 65.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.229 -0.92 . . . . 0.0 110.183 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.11 -145.82 12.66 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.495 ' CA ' ' OD2' ' B' ' 26' ' ' ASP . 84.2 mt -117.27 127.98 54.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -1.182 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' THR . . . . . 0.501 ' N ' ' OD2' ' B' ' 26' ' ' ASP . 44.0 p -73.03 178.03 4.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.164 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.535 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 82.9 p -63.17 -15.03 55.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 0.0 110.161 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' B' ' 23' ' ' THR . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' CB ' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.586 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.586 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.451 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.543 ' NE ' ' CB ' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.458 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -112.91 122.18 46.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.534 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.628 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.189 0.519 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.32 145.66 52.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.54 -28.32 69.67 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . 0.456 HD21 ' OD2' ' B' ' 26' ' ' ASP . 70.7 mt -127.43 140.96 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -1.155 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -109.68 -174.46 2.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.434 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 73.1 p -60.94 -29.96 69.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.459 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' NH1' ' OP2' ' A' ' 4' ' ' ' C' . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . . . . . . . . . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.435 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.55 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.51 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.428 ' O ' ' HG3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.428 ' HG3' ' O ' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -108.35 117.78 35.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.954 -1.47 . . . . 0.0 109.447 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ' C' . . . . . 0.737 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.96999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ' C' . . . . . 0.571 " C2'" " H5'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ' C' . . . . . 0.651 " O2'" H5'' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.85999999999999999 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ' U' . . . . . 0.651 H5'' " O2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 1.01 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 1.1200000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ' A' . . . . . 0.516 " C5'" ' HG3' ' B' ' 35' ' ' LYS . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 1.1000000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ' A' . . . . . 0.548 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ' A' . . . . . 0.928 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ' G' . . . . . 0.928 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 1.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ' G' . . . . . 0.543 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 1.22 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ' G' . . . . . 0.543 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 1.1299999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ' C' . . . . . 0.488 H5'' " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.53 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 p30 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.196 0.522 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -114.61 146.61 40.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 110.173 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.48 -17.67 79.85 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' LEU . . . . . . . . . . . . . 49.2 mt -106.17 131.63 53.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -1.165 . . . . 0.0 110.158 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 55.5 p -114.82 167.92 10.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.334 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' SER . . . . . 0.737 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 14.6 m -51.32 -28.44 12.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 110.204 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' ASP . . . . . 0.454 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.454 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ILE . . . . . 0.518 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ALA . . . . . 0.448 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' OP1' ' A' ' 8' ' ' ' A' . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' TRP . . . . . 0.594 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLU . . . . . 0.594 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' LYS . . . . . 0.516 ' HG3' " C5'" ' A' ' 7' ' ' ' A' . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' ARG . . . . . 0.503 ' HA ' " H4'" ' A' ' 7' ' ' ' A' . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -102.3 -8.29 21.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.512 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' ARG . 65.3 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.202 0.525 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 24' ' ' SER . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.43 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.598 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.598 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 1.018 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.25 0.548 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.292 0.568 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 36' ' ' ARG . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 32' ' ' ARG . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.543 ' O ' HD23 ' B' ' 41' ' ' LEU . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.259 0.552 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.471 HH11 ' HB3' ' B' ' 31' ' ' ALA . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.471 ' HB3' HH11 ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.493 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' B' ' 37' ' ' ILE . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' B' ' 36' ' ' ARG . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 28' ' ' ARG . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 m120 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.284 0.564 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.408 ' CZ ' ' CZ ' ' B' ' 32' ' ' ARG . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.543 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.603 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.543 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.898 ' O ' HD23 ' B' ' 41' ' ' LEU . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.221 0.534 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' NH2' ' B' ' 32' ' ' ARG . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.534 ' NH2' ' NH1' ' B' ' 28' ' ' ARG . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.301 0.572 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' ARG . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.587 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 37' ' ' ILE . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.971 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.328 0.585 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.878 ' NH1' ' HB2' ' B' ' 40' ' ' ALA . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.279 0.561 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 36' ' ' ARG . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.514 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.149 0.5 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.562 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.562 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' B' ' 39' ' ' TYR . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 34' ' ' GLU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' TYR . . . . . 0.437 ' CE1' ' ND2' ' B' ' 43' ' ' ASN . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 1.028 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.235 0.54 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' B' ' 35' ' ' LYS . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.611 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.611 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 32' ' ' ARG . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 93.6 p . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.306 0.575 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.578 ' O ' HD12 ' B' ' 37' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.402 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.55 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.578 HD12 ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 81.9 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' B' ' 24' ' ' SER . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.567 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.615 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.615 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.567 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.682 ' O ' HD23 ' B' ' 41' ' ' LEU . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.318 0.58 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HB3' ' B' ' 32' ' ' ARG . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.995 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 24' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' B' ' 27' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.287 0.565 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 24' ' ' SER . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.525 ' NH2' ' NH1' ' B' ' 32' ' ' ARG . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB1' HH21 ' B' ' 32' ' ' ARG . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.525 ' NH1' ' NH2' ' B' ' 28' ' ' ARG . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.589 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' C ' ' B' ' 32' ' ' ARG . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.911 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.238 0.542 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.559 ' HB3' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.573 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.573 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.249 0.547 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 26' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ALA . . . . . 0.459 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ARG . . . . . 0.532 ' CG ' ' O ' ' B' ' 28' ' ' ARG . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' TRP . . . . . 0.617 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLU . . . . . 0.617 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 35' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.212 0.53 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -117.81 141.89 47.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.196 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.3 -16.81 79.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.982 HD22 ' CG ' ' B' ' 26' ' ' ASP . 50.2 mt -97.67 149.55 22.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.235 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 21.6 p -113.16 -179.15 3.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -0.944 . . . . 0.0 110.118 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' ARG . 65.3 p -54.84 -17.38 3.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.982 ' CG ' HD22 ' B' ' 22' ' ' LEU . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 24' ' ' SER . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.436 ' HG2' " O2'" ' A' ' 7' ' ' ' A' . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -100.2 -10.09 21.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -65.74 -30.17 70.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.914 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.79 -7.41 62.56 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' B' ' 26' ' ' ASP . 32.4 tp -98.61 119.4 37.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -1.203 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.6 p -111.6 167.11 10.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.454 ' OG ' ' OP2' ' A' ' 2' ' ' ' C' . 2.8 p -51.45 -27.48 10.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.0 110.185 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' B' ' 22' ' ' LEU . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.537 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.598 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.598 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 1.018 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -121.0 126.67 50.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 CA-C-O 117.953 -1.471 . . . . 0.0 109.495 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.687 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.251 0.548 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -63.61 -22.24 66.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.891 . . . . 0.0 110.194 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.97 9.49 59.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' B' ' 26' ' ' ASP . 17.9 mt -121.29 117.94 28.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -1.157 . . . . 0.0 110.18 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 46.8 p -106.0 170.77 7.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.687 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 25.3 m -49.93 -35.04 22.43 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.533 ' NH2' ' OP1' ' A' ' 3' ' ' ' C' . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.548 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.432 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -109.32 -7.17 15.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.238 0.542 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.75 -23.54 66.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 -22.89 53.16 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' B' ' 26' ' ' ASP . 12.0 tp -91.89 116.51 28.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -1.179 . . . . 0.0 110.195 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -97.49 -175.84 3.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.927 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t -63.56 -32.47 73.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.489 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.547 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.543 ' O ' HD23 ' B' ' 41' ' ' LEU . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.449 ' O ' ' HG2' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' B' ' 44' ' ' GLY . 76.2 m-20 -124.13 111.2 15.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' B' ' 43' ' ' ASN . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.587 ' H61' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.249 0.547 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -57.88 -21.59 43.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.17 41.17 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.458 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 99.0 mt -111.35 129.96 55.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.236 -1.155 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -104.21 170.95 7.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.0 110.21 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.579 ' HG ' ' H6 ' ' A' ' 2' ' ' ' C' . 29.4 m -46.28 -42.75 14.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 110.193 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.527 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.471 ' HB3' HH11 ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.54 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.587 ' NH1' ' H61' ' A' ' 9' ' ' ' A' . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' B' ' 36' ' ' ARG . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -107.71 121.87 45.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.633 ' N7 ' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.248 0.547 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -109.79 142.88 40.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.224 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.0 -166.77 54.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.583 ' C ' HD23 ' B' ' 22' ' ' LEU . 8.7 tt -96.69 129.4 44.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.191 -1.182 . . . . 0.0 110.337 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.45 HG23 ' HB2' ' B' ' 25' ' ' ARG . 1.5 t -128.63 169.32 14.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.005 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.604 ' HB2' ' C6 ' ' A' ' 2' ' ' ' C' . 7.6 t -43.9 -40.14 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 28' ' ' ARG . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.53 ' HD3' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.419 ' HG2' ' OP1' ' A' ' 8' ' ' ' A' . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.633 ' NH1' ' N7 ' ' A' ' 9' ' ' ' A' . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.489 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 25.7 m120 -117.05 116.39 27.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -105.8 121.79 44.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.49 ' C ' HD12 ' B' ' 22' ' ' LEU . . . -55.46 -29.01 52.58 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.545 HD12 ' N ' ' B' ' 22' ' ' LEU . 8.0 mp -108.86 144.83 36.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -1.145 . . . . 0.0 110.101 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' B' ' 24' ' ' SER . 2.1 t -107.89 -169.27 1.49 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.46 ' HA ' ' OP2' ' A' ' 3' ' ' ' C' . 33.5 p -63.93 -26.9 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 110.128 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.426 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.529 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.603 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.543 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.898 ' O ' HD23 ' B' ' 41' ' ' LEU . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.57 119.77 34.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 117.918 -1.49 . . . . 0.0 109.511 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -62.92 -21.68 66.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.34 75.96 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' B' ' 26' ' ' ASP . 92.1 mt -79.06 160.47 27.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -1.154 . . . . 0.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -127.25 -175.96 3.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -0.892 . . . . 0.0 110.334 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.603 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 66.7 m -59.81 -26.25 65.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.505 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.536 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -105.44 127.78 53.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.953 -1.47 . . . . 0.0 109.46 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.54 ' N7 ' ' NH2' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.256 0.55 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -66.81 -21.46 66.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.95 -163.7 45.78 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.546 HD12 ' N ' ' B' ' 22' ' ' LEU . 6.5 mp -106.22 127.28 53.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -1.142 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -80.44 176.16 10.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.898 . . . . 0.0 110.163 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.534 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 91.0 p -58.83 -23.07 60.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.102 -0.999 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.526 ' OD2' ' CB ' ' B' ' 22' ' ' LEU . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.466 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' CZ ' ' O6 ' ' A' ' 6' ' ' ' G' . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.587 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.547 ' NH1' ' N3 ' ' A' ' 7' ' ' ' A' . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.971 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -123.67 139.21 54.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.94 ' H62' ' NH2' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' B' ' 19' ' ' ASP . 43.6 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.2 0.524 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -71.86 -17.66 62.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 0.0 110.161 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.59 -149.95 2.0 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.509 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 58.4 mt -74.27 140.59 45.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -1.128 . . . . 0.0 110.144 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 44.0 p -121.74 173.51 7.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.247 -0.908 . . . . 0.0 110.176 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.546 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 94.5 p -44.6 -43.02 7.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 110.085 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' B' ' 22' ' ' LEU . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.453 ' O ' " H4'" ' A' ' 7' ' ' ' A' . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.94 ' NH2' ' H62' ' A' ' 9' ' ' ' A' . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 -102.05 -2.72 28.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.664 ' C8 ' ' CE2' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.27 0.557 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -121.63 141.3 51.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.18 -147.41 13.96 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD22 ' N ' ' B' ' 22' ' ' LEU . 3.6 mm? -81.35 133.97 35.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.243 -1.151 . . . . 0.0 110.187 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 25' ' ' ARG . 23.8 p -87.42 35.64 0.72 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.463 ' HB2' ' OP2' ' A' ' 2' ' ' ' C' . 2.2 t 67.23 -58.59 0.41 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.385 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' B' ' 23' ' ' THR . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.489 ' HB3' HD12 ' B' ' 22' ' ' LEU . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.504 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.514 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.664 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -90.88 130.41 36.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.683 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 52.3 t0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.329 0.585 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 19' ' ' ASP . 97.5 mtt180 54.29 40.44 31.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.52 -155.64 7.86 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.747 HD23 ' CG ' ' B' ' 26' ' ' ASP . 22.3 mt -97.11 119.79 36.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.211 -1.17 . . . . 0.0 110.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' B' ' 25' ' ' ARG . 54.1 p -106.84 164.26 12.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.216 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.683 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 54.9 m -42.24 -46.44 4.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.254 -0.904 . . . . 0.0 110.26 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' B' ' 23' ' ' THR . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.747 ' CG ' HD23 ' B' ' 22' ' ' LEU . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.562 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.562 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' B' ' 39' ' ' TYR . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 34' ' ' GLU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.472 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 1.028 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 -102.68 -10.45 19.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.443 ' OD1' ' O ' ' B' ' 19' ' ' ASP . 43.6 p30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.252 0.549 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -114.38 128.2 56.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 0.0 110.23 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.17 -178.05 38.01 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.663 ' C ' HD23 ' B' ' 22' ' ' LEU . 8.2 tt -74.96 128.5 35.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -1.158 . . . . 0.0 110.135 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.475 ' N ' HD23 ' B' ' 22' ' ' LEU . 77.7 p -115.8 168.0 10.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.21 -0.931 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.522 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 80.6 p -49.2 -32.39 10.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.9 . . . . 0.0 110.094 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.494 ' HG3' ' OP2' ' A' ' 3' ' ' ' C' . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.51 ' HD3' ' OP2' ' A' ' 4' ' ' ' C' . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' B' ' 35' ' ' LYS . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.611 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.611 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.497 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.483 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -88.59 -8.09 55.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.508 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.69 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.193 0.52 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -80.67 136.37 36.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 0.0 110.265 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.45 -30.59 76.8 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.626 HD23 ' OD2' ' B' ' 26' ' ' ASP . 82.8 mt -113.53 106.76 14.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -1.106 . . . . 0.0 110.099 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -86.77 -166.22 1.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.306 -0.871 . . . . 0.0 110.149 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 93.6 p -67.97 -46.77 70.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 109.784 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.626 ' OD2' HD23 ' B' ' 22' ' ' LEU . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.578 ' O ' HD12 ' B' ' 37' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.402 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.565 ' HD2' " C4'" ' A' ' 7' ' ' ' A' . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.578 HD12 ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.69 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -113.57 133.3 55.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.928 -1.484 . . . . 0.0 109.543 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.12 -30.76 69.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.226 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.47 -8.22 62.36 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.566 HD13 ' NH1' ' B' ' 27' ' ' ARG . 68.2 mt -117.33 147.54 42.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -1.179 . . . . 0.0 110.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 32.8 p -117.85 -171.59 2.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 81.9 p -66.84 -18.04 65.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 110.313 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.566 ' NH1' HD13 ' B' ' 22' ' ' LEU . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.53 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.567 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.615 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.615 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.567 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.682 ' O ' HD23 ' B' ' 41' ' ' LEU . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -127.5 119.03 25.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.003 -1.443 . . . . 0.0 109.5 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' ASP . . . . . 0.409 ' OD1' ' C ' ' B' ' 19' ' ' ASP . 46.5 p-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.21 0.529 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' B' ' 22' ' ' LEU . 92.6 mtt180 -65.69 -27.57 68.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 21' ' ' GLY . . . . . 0.563 ' C ' HD22 ' B' ' 22' ' ' LEU . . . 86.35 -13.27 58.31 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.798 HD22 ' N ' ' B' ' 22' ' ' LEU . 3.1 mm? -102.72 117.47 34.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -1.153 . . . . 0.0 110.196 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 33.3 p -68.07 179.51 1.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 110.169 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.556 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 14.3 p -63.4 -16.26 59.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 109.866 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' B' ' 22' ' ' LEU . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.608 ' HD3' " H4'" ' A' ' 7' ' ' ' A' . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.585 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.995 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.452 ' O ' ' HG2' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -129.2 105.73 8.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.0 p30 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -71.09 -25.64 62.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.62 39.85 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.62 ' C ' HD23 ' B' ' 22' ' ' LEU . 9.0 tt -103.83 131.11 51.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -1.133 . . . . 0.0 110.208 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.46 ' N ' HD23 ' B' ' 22' ' ' LEU . 45.9 p -121.11 170.28 9.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.525 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 32.6 t -50.83 -40.02 54.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -0.903 . . . . 0.0 110.019 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' B' ' 22' ' ' LEU . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ARG . . . . . 0.495 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.547 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB1' HH21 ' B' ' 32' ' ' ARG . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.589 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.504 ' HG2' " H5'" ' A' ' 8' ' ' ' A' . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.412 ' CE2' ' C4 ' ' A' ' 7' ' ' ' A' . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.911 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.05 -22.36 21.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.212 0.53 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.41 -19.6 65.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.229 -0.92 . . . . 0.0 110.183 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.11 -145.82 12.66 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.495 ' CA ' ' OD2' ' B' ' 26' ' ' ASP . 84.2 mt -117.27 127.98 54.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -1.182 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' THR . . . . . 0.501 ' N ' ' OD2' ' B' ' 26' ' ' ASP . 44.0 p -73.03 178.03 4.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.164 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.535 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 82.9 p -63.17 -15.03 55.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 0.0 110.161 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' B' ' 23' ' ' THR . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.559 ' HB3' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.458 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -112.91 122.18 46.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.628 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.189 0.519 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.32 145.66 52.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.54 -28.32 69.67 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' B' ' 26' ' ' ASP . 70.7 mt -127.43 140.96 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -1.155 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -109.68 -174.46 2.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.421 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 73.1 p -60.94 -29.96 69.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.532 ' HB3' HD22 ' B' ' 22' ' ' LEU . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' NH1' ' OP2' ' A' ' 4' ' ' ' C' . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.573 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.573 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -108.35 117.78 35.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.954 -1.47 . . . . 0.0 109.447 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ' C' . . . . . 0.71 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.84 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.73 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.7 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.74 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.35 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.11 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.9 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.31 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 p30 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.196 0.522 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -114.61 146.61 40.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 110.173 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.48 -17.67 79.85 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD23 ' OD2' ' B' ' 26' ' ' ASP . 49.2 mt -106.17 131.63 53.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -1.165 . . . . 0.0 110.158 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 55.5 p -114.82 167.92 10.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.334 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' SER . . . . . 0.71 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 14.6 m -51.32 -28.44 12.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 110.204 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' ASP . . . . . 0.724 ' OD2' HD23 ' B' ' 22' ' ' LEU . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ALA . . . . . 0.459 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' OP1' ' A' ' 8' ' ' ' A' . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' TRP . . . . . 0.617 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLU . . . . . 0.617 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 35' ' ' LYS . . . . . 0.541 ' HG3' " C5'" ' A' ' 7' ' ' ' A' . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -102.3 -8.29 21.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.512 -179.968 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' ARG . 65.3 p . . . . . 0 N--CA 1.492 1.67 0 CA-C-O 121.202 0.525 . . . . 0.0 110.241 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 24' ' ' SER . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.43 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 . . . . . 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.8 p . . . . . 0 N--CA 1.491 1.61 0 CA-C-O 121.268 0.556 . . . . 0.0 110.185 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.457 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.459 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.598 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.598 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 1.018 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 25.3 m . . . . . 0 N--CA 1.491 1.581 0 CA-C-O 121.25 0.548 . . . . 0.0 110.251 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.438 ' HG2' ' O ' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.491 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 . . . . . 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 121.292 0.568 . . . . 0.0 110.298 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.469 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.489 ' O ' ' N ' ' B' ' 36' ' ' ARG . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' B' ' 32' ' ' ARG . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 41' ' ' LEU . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 . . . . . 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 29.4 m . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 121.259 0.552 . . . . 0.0 110.193 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.471 HH11 ' HB3' ' B' ' 31' ' ' ALA . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.471 ' HB3' HH11 ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.493 ' HA ' ' HB3' ' B' ' 35' ' ' LYS . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.527 ' HG3' ' N ' ' B' ' 37' ' ' ILE . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' B' ' 36' ' ' ARG . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.617 0 CA-C-O 121.281 0.562 . . . . 0.0 109.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 28' ' ' ARG . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.472 ' O ' ' HB3' ' B' ' 36' ' ' ARG . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.472 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.426 ' CD1' ' ND2' ' B' ' 43' ' ' ASN . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' B' ' 39' ' ' TYR . 74.9 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 33.5 p . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 121.284 0.564 . . . . 0.0 110.128 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.408 ' CZ ' ' CZ ' ' B' ' 32' ' ' ARG . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.543 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.603 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.543 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.898 HD23 ' O ' ' B' ' 41' ' ' LEU . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 66.7 m . . . . . 0 N--CA 1.492 1.63 0 CA-C-O 121.221 0.534 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.534 ' NH1' ' NH2' ' B' ' 32' ' ' ARG . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.534 ' NH2' ' NH1' ' B' ' 28' ' ' ARG . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 91.0 p . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 121.301 0.572 . . . . 0.0 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.455 ' HG3' ' O ' ' B' ' 28' ' ' ARG . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.587 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' B' ' 37' ' ' ILE . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.971 HD13 ' O ' ' B' ' 41' ' ' LEU . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 . . . . . 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 94.5 p . . . . . 0 N--CA 1.491 1.602 0 CA-C-O 121.328 0.585 . . . . 0.0 110.085 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.49 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.4 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.878 ' NH1' ' HB2' ' B' ' 40' ' ' ALA . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 2.2 t . . . . . 0 N--CA 1.492 1.661 0 CA-C-O 121.279 0.561 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.461 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.49 ' O ' ' N ' ' B' ' 36' ' ' ARG . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.514 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 54.9 m . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.149 0.5 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.484 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.463 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.562 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.562 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' B' ' 39' ' ' TYR . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 34' ' ' GLU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . 0.437 ' CE1' ' ND2' ' B' ' 43' ' ' ASN . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 1.028 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 . . . . . 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 80.6 p . . . . . 0 N--CA 1.492 1.654 0 CA-C-O 121.235 0.54 . . . . 0.0 110.094 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.468 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' B' ' 35' ' ' LYS . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.611 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.611 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' B' ' 32' ' ' ARG . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.43 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 93.6 p . . . . . 0 N--CA 1.49 1.572 0 CA-C-O 121.306 0.575 . . . . 0.0 109.784 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.472 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.578 ' O ' HD12 ' B' ' 37' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.402 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.55 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.578 HD12 ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 . . . . . 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 81.9 p . . . . . 0 N--CA 1.492 1.636 0 CA-C-O 121.173 0.511 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.486 ' HB3' ' O ' ' B' ' 24' ' ' SER . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.567 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.615 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.615 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.567 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.682 HD23 ' O ' ' B' ' 41' ' ' LEU . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 . . . . . 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.3 p . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.318 0.58 . . . . 0.0 109.866 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.484 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.555 ' CG ' ' HB3' ' B' ' 32' ' ' ARG . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.995 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 . . . . . 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . 0.474 ' O ' ' HG2' ' B' ' 27' ' ' ARG . 32.6 t . . . . . 0 N--CA 1.49 1.557 0 CA-C-O 121.287 0.565 . . . . 0.0 110.019 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.479 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . 0.474 ' HG2' ' O ' ' B' ' 24' ' ' SER . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.525 ' NH2' ' NH1' ' B' ' 32' ' ' ARG . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB1' HH21 ' B' ' 32' ' ' ARG . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.525 ' NH1' ' NH2' ' B' ' 28' ' ' ARG . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.589 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.462 ' HD3' ' C ' ' B' ' 32' ' ' ARG . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.911 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 82.9 p . . . . . 0 N--CA 1.492 1.656 0 CA-C-O 121.238 0.542 . . . . 0.0 110.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.498 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.559 ' HB3' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 73.1 p . . . . . 0 N--CA 1.492 1.637 0 CA-C-O 121.275 0.56 . . . . 0.0 109.967 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.462 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.464 ' O ' ' HD3' ' B' ' 32' ' ' ARG . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.573 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.573 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' SER . . . . . . . . . . . . . 14.6 m . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 121.249 0.547 . . . . 0.0 110.204 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' ASP . . . . . 0.474 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ALA . . . . . 0.459 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ARG . . . . . 0.532 ' CG ' ' O ' ' B' ' 28' ' ' ARG . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' TRP . . . . . 0.617 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLU . . . . . 0.617 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' LYS . . . . . 0.404 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.212 0.53 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 95.7 mtt180 -117.81 141.89 47.91 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.31 -0.869 . . . . 0.0 110.196 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.3 -16.81 79.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.383 -1.487 . . . . 0.0 109.383 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.982 HD22 ' CG ' ' B' ' 26' ' ' ASP . 50.2 mt -97.67 149.55 22.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.267 -1.137 . . . . 0.0 110.235 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 21.6 p -113.16 -179.15 3.56 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.19 -0.944 . . . . 0.0 110.118 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.455 ' O ' ' HB2' ' B' ' 28' ' ' ARG . 65.3 p -54.84 -17.38 3.51 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.22 -0.925 . . . . 0.0 110.241 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.509 ' O ' ' N ' ' B' ' 29' ' ' ARG . 10.9 mmm180 -85.9 -42.8 13.77 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.215 -0.928 . . . . 0.0 110.153 179.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.982 ' CG ' HD22 ' B' ' 22' ' ' LEU . 16.7 t70 -54.47 -74.58 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.25 -0.906 . . . . 0.0 110.406 -179.794 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.421 ' C ' ' O ' ' B' ' 26' ' ' ASP . 62.3 ttt180 -42.41 -50.16 5.16 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.241 -0.912 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.455 ' HB2' ' O ' ' B' ' 24' ' ' SER . 18.0 mtp180 -67.03 -31.35 71.82 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.182 -0.949 . . . . 0.0 110.262 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.547 ' HA ' ' CZ ' ' B' ' 32' ' ' ARG . 67.5 ttt-85 -54.44 -48.4 71.75 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.199 -0.938 . . . . 0.0 110.159 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.509 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 73.8 mt -71.12 -42.09 75.93 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.143 -0.973 . . . . 0.0 110.155 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.463 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -44.31 -44.56 8.21 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.13 -0.982 . . . . 0.0 109.316 179.638 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.547 ' CZ ' ' HA ' ' B' ' 29' ' ' ARG . 5.6 mtp180 -49.52 -28.95 6.06 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.278 -0.889 . . . . 0.0 109.022 179.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.584 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.4 t90 -55.06 -30.77 60.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.496 -0.753 . . . . 0.0 109.456 179.077 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.584 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 2.6 mt-10 -105.07 -18.84 14.02 Favored 'General case' 0 C--N 1.302 -1.497 0 O-C-N 121.703 -0.623 . . . . 0.0 110.007 -179.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.463 ' HG3' ' O ' ' B' ' 31' ' ' ALA . 59.0 mttt -92.44 -22.03 19.85 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.353 -0.842 . . . . 0.0 109.619 179.343 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.436 ' HG2' " O2'" ' A' ' 7' ' ' ' A' . 23.2 mtp-105 -86.96 -49.26 7.47 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.366 -0.834 . . . . 0.0 109.904 179.595 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 56.7 mt -43.11 -59.35 0.44 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.371 -0.831 . . . . 0.0 110.048 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.52 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -42.56 -46.53 4.92 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.261 -0.899 . . . . 0.0 110.282 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -75.06 -62.77 1.44 Allowed 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.265 -0.897 . . . . 0.0 110.293 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.43 -15.64 7.27 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.216 -0.928 . . . . 0.0 110.317 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.525 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tt -100.93 -39.91 7.53 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.222 -0.924 . . . . 0.0 110.165 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.52 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 77.2 tttt -77.75 -12.02 59.93 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.204 -0.935 . . . . 0.0 110.268 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -100.2 -10.09 21.76 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.295 -0.878 . . . . 0.0 110.244 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.306 0 N-CA-C 109.464 -1.454 . . . . 0.0 109.464 -179.994 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 . . . . . 0 N--CA 1.491 1.623 0 CA-C-O 121.256 0.55 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 76.7 mtp180 -65.74 -30.17 70.79 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.238 -0.914 . . . . 0.0 110.26 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 81.79 -7.41 62.56 Favored Glycine 0 N--CA 1.49 2.27 0 N-CA-C 109.524 -1.43 . . . . 0.0 109.524 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.491 HD12 ' CB ' ' B' ' 26' ' ' ASP . 32.4 tp -98.61 119.4 37.27 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.156 -1.203 . . . . 0.0 110.233 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 25.6 p -111.6 167.11 10.59 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.243 -0.91 . . . . 0.0 110.177 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.454 ' OG ' ' OP2' ' A' ' 2' ' ' ' C' . 2.8 p -51.45 -27.48 10.43 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.245 -0.909 . . . . 0.0 110.185 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.515 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 75.0 ttt180 -71.92 -39.93 69.14 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.246 -0.909 . . . . 0.0 110.257 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.491 ' CB ' HD12 ' B' ' 22' ' ' LEU . 5.5 t0 -58.41 -53.46 58.11 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.231 -0.918 . . . . 0.0 110.324 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.449 ' CZ ' ' HB3' ' B' ' 27' ' ' ARG . 21.3 mtp-105 -56.83 -55.44 34.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.211 -0.93 . . . . 0.0 110.138 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.406 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.2 OUTLIER -68.96 -18.03 64.02 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.278 -0.889 . . . . 0.0 110.208 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 33.7 ttm180 -70.28 -31.04 68.23 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.199 -0.938 . . . . 0.0 110.202 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.498 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 98.7 mt -70.41 -42.4 78.48 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.138 -0.976 . . . . 0.0 110.25 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.43 -34.73 3.28 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.047 -1.033 . . . . 0.0 109.285 179.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.537 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 16.8 mmt180 -61.74 -29.91 70.43 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.348 -0.845 . . . . 0.0 108.941 179.141 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.598 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.1 t90 -52.86 -21.5 4.33 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.481 -0.762 . . . . 0.0 109.349 178.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.598 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.5 mt-10 -111.88 -20.33 12.07 Favored 'General case' 0 C--N 1.301 -1.504 0 CA-C-O 121.386 0.612 . . . . 0.0 109.891 -179.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.448 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 71.1 mmtt -97.52 -14.09 21.29 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.393 -0.817 . . . . 0.0 109.362 179.225 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.459 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 35.1 ttp180 -94.4 -39.77 10.28 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.473 -0.767 . . . . 0.0 109.841 179.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.529 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 27.5 mt -44.42 -43.39 2.23 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.457 0 O-C-N 121.203 -0.936 . . . . 0.0 109.545 179.619 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -53.16 -51.91 60.46 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.323 -0.861 . . . . 0.0 109.98 179.53 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 39.6 t80 -61.0 -59.25 5.67 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.286 -0.884 . . . . 0.0 109.969 179.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.6 -26.52 67.04 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.25 -0.906 . . . . 0.0 110.246 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 1.018 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.3 tm? -89.8 -22.25 22.21 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.192 -0.943 . . . . 0.0 109.973 179.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.485 ' N ' ' O ' ' B' ' 38' ' ' ALA . 82.8 mttt -93.1 -11.14 33.67 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.385 -0.822 . . . . 0.0 110.189 179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 79.7 m-20 -121.0 126.67 50.53 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.244 -0.91 . . . . 0.0 110.164 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.225 0 CA-C-O 117.953 -1.471 . . . . 0.0 109.495 -179.99 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.687 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 22.1 m-20 . . . . . 0 N--CA 1.491 1.625 0 CA-C-O 121.251 0.548 . . . . 0.0 110.225 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 69.6 mtm180 -63.61 -22.24 66.79 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.275 -0.891 . . . . 0.0 110.194 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 68.97 9.49 59.9 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.511 -1.436 . . . . 0.0 109.511 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.429 HD23 ' CG ' ' B' ' 26' ' ' ASP . 17.9 mt -121.29 117.94 28.27 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.233 -1.157 . . . . 0.0 110.18 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 46.8 p -106.0 170.77 7.71 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.272 -0.893 . . . . 0.0 110.151 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.687 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 25.3 m -49.93 -35.04 22.43 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.289 -0.882 . . . . 0.0 110.251 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 62.0 mtm180 -68.49 -32.45 72.45 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.252 -0.905 . . . . 0.0 110.199 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.483 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 6.5 t0 -76.88 -46.16 25.55 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.195 -0.94 . . . . 0.0 110.307 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.533 ' NH2' ' OP1' ' A' ' 3' ' ' ' C' . 33.0 ttp180 -57.81 -56.34 23.26 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.17 -0.956 . . . . 0.0 110.149 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.438 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 0.1 OUTLIER -61.74 -16.11 46.58 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.297 -0.877 . . . . 0.0 110.201 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.483 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 2.9 mtp180 -71.64 -37.12 70.87 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.301 -0.874 . . . . 0.0 110.201 -179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 33' ' ' TRP . 95.8 mt -66.23 -43.18 91.93 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.588 0 O-C-N 121.194 -0.942 . . . . 0.0 110.288 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -44.79 -38.05 4.24 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.082 -1.011 . . . . 0.0 109.427 179.752 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.548 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 15.8 mmt180 -57.52 -30.01 64.8 Favored 'General case' 0 N--CA 1.488 1.436 0 O-C-N 121.383 -0.823 . . . . 0.0 109.0 179.111 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 50.1 t90 -53.07 -20.32 3.54 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.561 -0.712 . . . . 0.0 109.66 178.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 3.7 mt-10 -114.08 -17.48 11.92 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 121.596 -0.69 . . . . 0.0 110.298 -179.337 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 22.6 tptp -101.85 -17.26 16.27 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.265 -0.897 . . . . 0.0 109.454 179.257 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.491 ' HB3' ' O ' ' B' ' 32' ' ' ARG . 41.5 ttp180 -92.27 -38.31 12.15 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.367 -0.833 . . . . 0.0 109.572 179.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 17.2 mt -43.8 -44.29 1.85 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.512 0 O-C-N 121.365 -0.834 . . . . 0.0 109.266 179.502 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.439 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -55.75 -43.27 76.5 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.316 -0.865 . . . . 0.0 109.805 179.533 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.432 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.5 t80 -67.68 -56.26 10.01 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.363 -0.835 . . . . 0.0 109.981 179.743 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -67.06 -21.63 65.89 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.462 -0.774 . . . . 0.0 110.518 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.6 OUTLIER -92.14 -28.99 16.74 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.05 -1.031 . . . . 0.0 110.097 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.439 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 37.2 ttmt -88.52 -15.78 34.37 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.338 -0.851 . . . . 0.0 110.174 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 81.1 m-20 -109.32 -7.17 15.28 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.155 -0.966 . . . . 0.0 110.229 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.234 0 N-CA-C 109.502 -1.439 . . . . 0.0 109.502 -179.959 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.2 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.238 0.542 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 43.3 ttm180 -61.75 -23.54 66.24 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.245 -0.909 . . . . 0.0 110.243 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.34 -22.89 53.16 Favored Glycine 0 N--CA 1.49 2.288 0 N-CA-C 109.477 -1.449 . . . . 0.0 109.477 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.551 ' CD1' ' HB3' ' B' ' 26' ' ' ASP . 12.0 tp -91.89 116.51 28.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.196 -1.179 . . . . 0.0 110.195 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.8 p -97.49 -175.84 3.32 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.216 -0.927 . . . . 0.0 110.284 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.456 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 30.4 t -63.56 -32.47 73.95 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.28 -0.888 . . . . 0.0 110.298 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.511 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 98.0 mtt180 -68.11 -42.87 79.61 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.243 -0.911 . . . . 0.0 110.326 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.551 ' HB3' ' CD1' ' B' ' 22' ' ' LEU . 73.7 m-20 -57.31 -64.3 0.93 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.185 -0.947 . . . . 0.0 110.317 -179.834 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.6 ttm180 -55.2 -45.38 75.87 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.109 -0.994 . . . . 0.0 110.259 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.462 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 12.9 tpt180 -72.43 -20.11 61.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.31 -0.869 . . . . 0.0 110.045 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 38.9 ttt85 -72.06 -41.47 67.37 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.32 -0.863 . . . . 0.0 110.65 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.537 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.5 mt -66.61 -42.93 90.61 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.008 -1.057 . . . . 0.0 110.539 -179.66 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.426 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.31 -34.7 3.07 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.864 -1.147 . . . . 0.0 109.444 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 12.5 mmt180 -66.62 -28.96 68.9 Favored 'General case' 0 N--CA 1.488 1.435 0 O-C-N 121.28 -0.888 . . . . 0.0 109.225 179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 49.8 t90 -54.03 -20.51 6.48 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.29 -0.881 . . . . 0.0 109.41 179.026 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.6 mt-10 -113.04 -22.18 10.7 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 121.572 -0.705 . . . . 0.0 110.267 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 24.8 mtpp -99.69 -13.46 19.32 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.222 -0.924 . . . . 0.0 109.374 179.136 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.489 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 57.8 ttp180 -93.66 -40.18 10.39 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.468 -0.77 . . . . 0.0 109.722 179.647 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 28.4 mt -43.25 -46.69 1.48 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.516 0 O-C-N 121.414 -0.804 . . . . 0.0 109.516 179.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -51.32 -47.04 62.79 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.477 -0.764 . . . . 0.0 110.071 179.651 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.547 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 40.6 t80 -70.46 -59.01 3.1 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.386 -0.821 . . . . 0.0 110.136 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -59.86 -23.7 63.63 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.343 -0.848 . . . . 0.0 110.543 -179.766 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.543 HD23 ' O ' ' B' ' 41' ' ' LEU . 10.1 tt -92.0 -17.62 24.83 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.082 -1.011 . . . . 0.0 110.2 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.449 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 86.5 tttt -98.89 -6.99 27.9 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.312 -0.867 . . . . 0.0 110.153 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.403 ' O ' ' C ' ' B' ' 44' ' ' GLY . 76.2 m-20 -124.13 111.2 15.64 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.205 -0.934 . . . . 0.0 110.118 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' B' ' 43' ' ' ASN . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.487 -1.445 . . . . 0.0 109.487 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.587 ' H61' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 17.7 p-10 . . . . . 0 N--CA 1.491 1.597 0 CA-C-O 121.249 0.547 . . . . 0.0 110.175 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -57.88 -21.59 43.96 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.237 -0.914 . . . . 0.0 110.171 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 172.66 -168.17 41.17 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.458 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 99.0 mt -111.35 129.96 55.84 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.236 -1.155 . . . . 0.0 110.184 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 19.1 p -104.21 170.95 7.61 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.282 -0.886 . . . . 0.0 110.21 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.579 ' HG ' ' H6 ' ' A' ' 2' ' ' ' C' . 29.4 m -46.28 -42.75 14.96 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.171 -0.956 . . . . 0.0 110.193 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.475 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 66.9 ttt180 -56.84 -43.9 81.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.165 -0.96 . . . . 0.0 110.11 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.471 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 74.3 m-20 -55.71 -64.79 0.74 Allowed 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.303 -0.873 . . . . 0.0 110.228 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 77.2 ttt-85 -53.48 -44.54 69.07 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.173 -0.954 . . . . 0.0 110.161 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.527 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -71.95 -19.64 61.87 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.232 -0.917 . . . . 0.0 110.077 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 64.7 ttt180 -70.09 -42.99 71.99 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.153 -0.967 . . . . 0.0 110.548 -179.878 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.9 mt -62.1 -41.72 92.29 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 120.99 -1.068 . . . . 0.0 110.366 -179.726 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.471 ' HB3' HH11 ' B' ' 28' ' ' ARG . . . -45.94 -31.36 2.15 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.011 -1.056 . . . . 0.0 109.141 179.655 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.54 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 0.5 OUTLIER -65.01 -31.31 72.49 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.357 -0.839 . . . . 0.0 108.824 178.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 42.3 t90 -49.78 -23.99 2.13 Favored 'General case' 0 N--CA 1.49 1.561 0 CA-C-O 121.692 0.758 . . . . 0.0 109.155 178.904 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.1 mt-10 -106.49 -17.1 14.36 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.379 0.609 . . . . 0.0 109.999 -179.594 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.493 ' HB3' ' HA ' ' B' ' 32' ' ' ARG . 55.4 tptt -99.76 -14.66 18.76 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.362 -0.836 . . . . 0.0 109.31 179.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.587 ' NH1' ' H61' ' A' ' 9' ' ' ' A' . 8.1 ptm180 -89.03 -39.87 13.37 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.458 -0.776 . . . . 0.0 109.736 179.608 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' N ' ' HG3' ' B' ' 36' ' ' ARG . 66.8 mt -47.92 -49.26 11.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.443 0 O-C-N 121.382 -0.824 . . . . 0.0 109.759 179.669 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.415 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -47.97 -46.44 32.44 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.261 -0.899 . . . . 0.0 110.15 179.708 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 52.5 t80 -68.05 -59.78 2.99 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.267 -0.896 . . . . 0.0 110.044 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.59 -15.16 57.39 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.297 -0.877 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.518 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.6 tp -96.44 -39.78 9.41 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.18 -0.95 . . . . 0.0 110.061 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.415 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 95.7 mttt -79.51 -19.52 49.42 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.254 -0.904 . . . . 0.0 110.09 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 97.2 m-20 -107.71 121.87 45.57 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.276 -0.89 . . . . 0.0 110.237 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.24 0 N-CA-C 109.456 -1.458 . . . . 0.0 109.456 179.999 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.633 ' N7 ' ' NH1' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 54.5 p30 . . . . . 0 N--CA 1.491 1.619 0 CA-C-O 121.248 0.547 . . . . 0.0 110.191 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 81.0 mtp180 -109.79 142.88 40.42 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.293 -0.879 . . . . 0.0 110.224 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 74.0 -166.77 54.69 Favored Glycine 0 N--CA 1.49 2.278 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.583 HD23 ' C ' ' B' ' 22' ' ' LEU . 8.7 tt -96.69 129.4 44.1 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.191 -1.182 . . . . 0.0 110.337 -179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.45 HG23 ' HB2' ' B' ' 25' ' ' ARG . 1.5 t -128.63 169.32 14.57 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.318 -0.864 . . . . 0.0 110.005 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.604 ' HB2' ' C6 ' ' A' ' 2' ' ' ' C' . 7.6 t -43.9 -40.14 4.38 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.151 -0.968 . . . . 0.0 109.893 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.47 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 91.1 mtt-85 -55.39 -34.96 64.82 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.269 -0.895 . . . . 0.0 109.758 179.653 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.534 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 5.6 t0 -56.86 -68.3 0.23 Allowed 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.401 -0.812 . . . . 0.0 109.911 179.677 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 34.7 ttt180 -48.27 -56.96 6.67 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.096 -1.003 . . . . 0.0 109.585 179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.465 ' O ' ' HB3' ' B' ' 31' ' ' ALA . 0.4 OUTLIER -54.02 -27.77 34.12 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.214 -0.928 . . . . 0.0 109.431 179.397 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.534 ' CB ' ' O ' ' B' ' 26' ' ' ASP . 14.4 ttt85 -54.75 -56.4 19.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.299 -0.875 . . . . 0.0 109.553 179.525 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 33' ' ' TRP . 50.6 mt -62.65 -39.64 85.44 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.4 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB3' ' O ' ' B' ' 28' ' ' ARG . . . -46.03 -30.91 2.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.198 -0.939 . . . . 0.0 108.733 179.083 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.53 ' HD3' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -58.35 -34.56 70.79 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.485 -0.932 . . . . 0.0 108.485 178.647 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 45.2 t90 -50.38 -22.49 1.87 Allowed 'General case' 0 N--CA 1.488 1.426 0 CA-C-O 121.552 0.692 . . . . 0.0 109.573 179.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.1 mt-10 -108.64 -35.14 6.51 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.591 -0.693 . . . . 0.0 110.049 -179.711 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.419 ' HG2' ' OP1' ' A' ' 8' ' ' ' A' . 62.1 tttt -79.53 -20.34 47.36 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.251 -0.906 . . . . 0.0 109.414 179.357 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.633 ' NH1' ' N7 ' ' A' ' 9' ' ' ' A' . 0.5 OUTLIER -84.84 -49.57 8.29 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.455 -0.778 . . . . 0.0 109.692 179.617 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 54.3 mt -42.93 -51.98 0.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.311 -0.868 . . . . 0.0 109.971 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' B' ' 37' ' ' ILE . . . -42.49 -62.71 0.91 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.309 -0.869 . . . . 0.0 110.479 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.489 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 60.4 t80 -59.3 -62.07 2.15 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.228 -0.92 . . . . 0.0 110.464 -179.741 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -56.4 -17.05 6.81 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.284 -0.885 . . . . 0.0 110.597 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -98.86 -35.79 9.99 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.108 -0.995 . . . . 0.0 110.412 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 24.9 mttp -84.73 -9.16 58.47 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.192 -0.943 . . . . 0.0 110.324 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.426 ' ND2' ' CD1' ' B' ' 39' ' ' TYR . 74.9 m-20 -117.05 116.39 27.25 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.299 -0.875 . . . . 0.0 110.128 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.297 0 N-CA-C 109.437 -1.465 . . . . 0.0 109.437 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 76.4 m-20 . . . . . 0 N--CA 1.491 1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 110.198 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 40.5 ttm180 -105.8 121.79 44.76 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.319 -0.863 . . . . 0.0 110.233 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.49 ' C ' HD12 ' B' ' 22' ' ' LEU . . . -55.46 -29.01 52.58 Favored Glycine 0 N--CA 1.49 2.274 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.545 ' N ' HD12 ' B' ' 22' ' ' LEU . 8.0 mp -108.86 144.83 36.23 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.253 -1.145 . . . . 0.0 110.101 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.406 ' OG1' ' N ' ' B' ' 24' ' ' SER . 2.1 t -107.89 -169.27 1.49 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.202 -0.936 . . . . 0.0 110.229 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.46 ' HA ' ' OP2' ' A' ' 3' ' ' ' C' . 33.5 p -63.93 -26.9 68.8 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.301 -0.874 . . . . 0.0 110.128 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.476 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 41.2 ttm180 -61.36 -41.86 97.76 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.279 -0.888 . . . . 0.0 110.132 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.477 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 62.1 m-20 -55.77 -56.01 25.56 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.199 -0.938 . . . . 0.0 110.303 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.426 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 70.4 ttt180 -50.61 -58.9 4.72 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.162 -0.961 . . . . 0.0 110.06 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.529 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 1.8 ttt180 -66.54 -32.4 73.72 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.232 -0.918 . . . . 0.0 110.038 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.477 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 19.3 ttp180 -52.06 -27.41 13.74 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.249 -0.907 . . . . 0.0 109.912 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' B' ' 33' ' ' TRP . 89.9 mt -77.99 -43.72 28.22 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 O-C-N 121.245 -0.91 . . . . 0.0 110.024 179.678 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.404 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.56 -29.95 3.23 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.93 -1.106 . . . . 0.0 108.874 179.499 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' HB3' ' CD ' ' B' ' 36' ' ' ARG . 63.9 mtt180 -66.64 -28.04 68.16 Favored 'General case' 0 N--CA 1.488 1.426 0 N-CA-C 108.762 -0.829 . . . . 0.0 108.762 178.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.603 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 46.8 t90 -53.53 -21.36 6.28 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-O 121.82 0.819 . . . . 0.0 109.107 178.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.603 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 8.3 mt-10 -110.59 -15.31 13.9 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 121.715 -0.615 . . . . 0.0 109.908 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.475 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 33.6 mttm -98.14 -20.82 17.08 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.369 -0.832 . . . . 0.0 109.501 179.279 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.543 ' CD ' ' HB3' ' B' ' 32' ' ' ARG . 77.7 mtp180 -87.65 -41.93 13.04 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.344 -0.848 . . . . 0.0 109.912 179.7 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.53 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 22.9 mt -43.84 -53.02 1.22 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 O-C-N 121.338 -0.851 . . . . 0.0 109.886 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.495 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -48.74 -52.7 22.29 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.224 -0.923 . . . . 0.0 110.169 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -63.44 -61.37 2.38 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.278 -0.889 . . . . 0.0 110.181 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.22 -25.72 61.98 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.343 -0.848 . . . . 0.0 110.407 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.898 HD23 ' O ' ' B' ' 41' ' ' LEU . 6.9 tt -91.84 -25.5 18.95 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.138 -0.976 . . . . 0.0 110.092 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.495 ' N ' ' O ' ' B' ' 38' ' ' ALA . 74.5 tttt -91.39 -16.04 28.03 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.296 -0.878 . . . . 0.0 110.174 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 76.9 m-20 -119.57 119.77 34.75 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.275 -0.891 . . . . 0.0 110.161 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.228 0 CA-C-O 117.918 -1.49 . . . . 0.0 109.511 179.999 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 49.2 t0 . . . . . 0 N--CA 1.491 1.59 0 CA-C-O 121.202 0.525 . . . . 0.0 110.194 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 33.9 mmt180 -62.92 -21.68 66.22 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.219 -0.926 . . . . 0.0 110.21 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.99 -25.34 75.96 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.406 HD22 ' HB3' ' B' ' 26' ' ' ASP . 92.1 mt -79.06 160.47 27.1 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.239 -1.154 . . . . 0.0 110.111 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 4.7 t -127.25 -175.96 3.59 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.273 -0.892 . . . . 0.0 110.334 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.603 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 66.7 m -59.81 -26.25 65.62 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.341 -0.849 . . . . 0.0 110.352 -179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.493 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 90.6 mtt180 -77.12 -42.63 37.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.21 -0.931 . . . . 0.0 110.195 -179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.466 ' O ' ' HB3' ' B' ' 29' ' ' ARG . 58.6 m-20 -66.72 -70.06 0.27 Allowed 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.172 -0.955 . . . . 0.0 110.432 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.505 ' HD3' ' OP1' ' A' ' 3' ' ' ' C' . 64.5 ttt180 -42.36 -47.55 4.92 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.26 -0.9 . . . . 0.0 110.418 -179.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.536 ' NH2' ' O6 ' ' A' ' 6' ' ' ' G' . 2.3 ttp-105 -71.39 -40.03 70.79 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.112 -0.992 . . . . 0.0 110.218 179.933 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.493 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 18.9 ttt180 -44.58 -29.57 0.75 Allowed 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.202 -0.936 . . . . 0.0 109.99 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 87.1 mt -79.21 -44.95 24.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.536 0 O-C-N 121.229 -0.92 . . . . 0.0 110.185 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.415 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -46.98 -29.12 1.89 Allowed 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.866 -1.146 . . . . 0.0 108.81 179.579 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 80.5 mtt180 -70.32 -30.71 67.75 Favored 'General case' 0 N--CA 1.488 1.429 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 178.835 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.597 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 48.0 t90 -51.19 -22.73 2.8 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 121.777 0.799 . . . . 0.0 109.174 178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.597 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.9 mt-10 -110.27 -21.9 12.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.691 -0.631 . . . . 0.0 109.931 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.482 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 38.8 mttm -95.13 -10.71 29.81 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.333 -0.854 . . . . 0.0 109.377 179.041 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 51.9 ttp180 -96.32 -44.71 7.11 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.469 -0.77 . . . . 0.0 109.968 179.796 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.528 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 33.9 mt -44.06 -49.18 1.99 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.527 0 O-C-N 121.292 -0.88 . . . . 0.0 109.829 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.431 ' O ' ' HB2' ' B' ' 42' ' ' LYS . . . -49.65 -53.08 26.33 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.232 -0.918 . . . . 0.0 110.0 179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 54.6 t80 -63.96 -58.02 7.99 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.312 -0.868 . . . . 0.0 110.146 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -61.26 -22.19 64.6 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.376 -0.828 . . . . 0.0 110.458 -179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.528 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.3 tp -93.72 -35.66 12.69 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.086 -1.009 . . . . 0.0 109.918 179.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.431 ' HB2' ' O ' ' B' ' 38' ' ' ALA . 92.7 mttt -79.11 -27.17 42.87 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.34 -0.85 . . . . 0.0 110.171 179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -105.44 127.78 53.18 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.341 -0.85 . . . . 0.0 110.163 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.201 0 CA-C-O 117.953 -1.47 . . . . 0.0 109.46 -179.974 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.54 ' N7 ' ' NH2' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 . . . . . 0 N--CA 1.492 1.646 0 CA-C-O 121.256 0.55 . . . . 0.0 110.172 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 60.3 mtm180 -66.81 -21.46 66.04 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.281 -0.887 . . . . 0.0 110.232 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 80.95 -163.7 45.78 Favored Glycine 0 N--CA 1.49 2.271 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 22' ' ' LEU . 6.5 mp -106.22 127.28 53.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.259 -1.142 . . . . 0.0 110.253 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 26.2 p -80.44 176.16 10.02 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.262 -0.898 . . . . 0.0 110.163 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.534 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 91.0 p -58.83 -23.07 60.06 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.102 -0.999 . . . . 0.0 109.998 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.5 ' O ' ' N ' ' B' ' 29' ' ' ARG . 78.4 ttt180 -62.66 -38.19 89.37 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.284 -0.885 . . . . 0.0 110.0 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.526 ' OD2' ' CB ' ' B' ' 22' ' ' LEU . 81.0 m-20 -54.58 -61.18 2.48 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.296 -0.877 . . . . 0.0 110.172 179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.466 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 71.8 mtt180 -50.47 -52.16 40.55 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.172 -0.955 . . . . 0.0 110.131 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.455 ' O ' ' HG3' ' B' ' 32' ' ' ARG . 7.6 ttt85 -66.96 -32.52 73.82 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.058 -1.026 . . . . 0.0 109.83 179.667 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.5 ' N ' ' O ' ' B' ' 25' ' ' ARG . 71.7 ttt180 -49.55 -40.22 37.49 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.217 -0.927 . . . . 0.0 109.577 179.731 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 33' ' ' TRP . 54.1 mt -74.79 -42.31 47.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.361 -0.837 . . . . 0.0 109.933 179.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.423 ' O ' ' HG3' ' B' ' 35' ' ' LYS . . . -46.68 -28.85 1.62 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 120.895 -1.128 . . . . 0.0 108.825 179.299 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.543 ' CZ ' ' O6 ' ' A' ' 6' ' ' ' G' . 9.8 mtt85 -64.08 -31.08 72.14 Favored 'General case' 0 N--CA 1.488 1.443 0 N-CA-C 108.63 -0.878 . . . . 0.0 108.63 178.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.587 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 38.6 t90 -50.4 -22.89 2.06 Favored 'General case' 0 N--CA 1.488 1.448 0 CA-C-O 121.829 0.824 . . . . 0.0 108.983 178.446 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.587 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 21.5 mt-10 -105.36 -15.53 15.0 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.747 -0.595 . . . . 0.0 109.883 -179.692 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.433 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.0 mttt -93.28 -32.13 14.44 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.403 -0.811 . . . . 0.0 109.322 179.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.547 ' NH1' ' N3 ' ' A' ' 7' ' ' ' A' . 8.1 tpp180 -74.26 -47.4 35.27 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.409 -0.807 . . . . 0.0 109.696 179.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.515 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 18.7 mt -42.93 -58.47 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.343 -0.848 . . . . 0.0 109.985 179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.471 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -46.57 -43.85 17.54 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.263 -0.898 . . . . 0.0 109.746 179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 69.4 t80 -69.75 -64.21 0.93 Allowed 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.387 -0.82 . . . . 0.0 109.926 179.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -19.83 31.71 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.244 -0.91 . . . . 0.0 109.966 179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.971 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.3 tm? -93.37 -28.8 15.95 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.33 -0.856 . . . . 0.0 110.067 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.471 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 93.1 mttt -94.56 -9.42 35.29 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.319 -0.863 . . . . 0.0 110.199 179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 58.3 m-80 -123.67 139.21 54.22 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.317 -0.864 . . . . 0.0 110.152 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.277 0 N-CA-C 109.444 -1.462 . . . . 0.0 109.444 -179.944 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.94 ' H62' ' NH2' ' B' ' 36' ' ' ARG . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.405 ' CG ' ' O ' ' B' ' 19' ' ' ASP . 43.6 p-10 . . . . . 0 N--CA 1.491 1.622 0 CA-C-O 121.2 0.524 . . . . 0.0 110.163 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -71.86 -17.66 62.11 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.316 -0.865 . . . . 0.0 110.161 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 46.59 -149.95 2.0 Favored Glycine 0 N--CA 1.488 2.165 0 N-CA-C 109.498 -1.441 . . . . 0.0 109.498 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.509 ' HA ' ' OD2' ' B' ' 26' ' ' ASP . 58.4 mt -74.27 140.59 45.07 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.283 -1.128 . . . . 0.0 110.144 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 44.0 p -121.74 173.51 7.42 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.247 -0.908 . . . . 0.0 110.176 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.546 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 94.5 p -44.6 -43.02 7.85 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.193 -0.942 . . . . 0.0 110.085 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.51 ' O ' ' N ' ' B' ' 29' ' ' ARG . 79.3 mtp180 -54.69 -50.29 68.61 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.264 -0.897 . . . . 0.0 110.044 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.509 ' OD2' ' HA ' ' B' ' 22' ' ' LEU . 47.3 m-20 -48.98 -62.42 1.54 Allowed 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.291 -0.881 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 -53.28 -53.18 54.66 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.142 -0.974 . . . . 0.0 110.134 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.44 ' O ' ' HG3' ' B' ' 28' ' ' ARG . 20.6 tpt180 -65.94 -18.46 65.35 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.238 -0.914 . . . . 0.0 110.087 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' B' ' 25' ' ' ARG . 11.9 ttm180 -70.2 -36.22 74.44 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.219 -0.926 . . . . 0.0 110.067 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 33' ' ' TRP . 48.1 mm -71.92 -43.28 68.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.055 -1.028 . . . . 0.0 110.089 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.47 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -45.98 -27.13 0.84 Allowed 'General case' 0 N--CA 1.489 1.481 0 O-C-N 120.909 -1.12 . . . . 0.0 108.753 179.576 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.478 ' O ' ' HB2' ' B' ' 36' ' ' ARG . 10.2 mtm180 -70.72 -35.3 72.65 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.599 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 36.7 t90 -46.97 -26.01 0.92 Allowed 'General case' 0 N--CA 1.489 1.502 0 CA-C-O 121.855 0.836 . . . . 0.0 109.138 178.732 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.599 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.7 mt-10 -101.47 -35.17 9.28 Favored 'General case' 0 C--N 1.303 -1.447 0 O-C-N 121.667 -0.645 . . . . 0.0 109.861 -179.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.453 ' O ' " H4'" ' A' ' 7' ' ' ' A' . 38.4 mttp -80.0 -15.75 56.58 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.241 -0.912 . . . . 0.0 109.289 179.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.94 ' NH2' ' H62' ' A' ' 9' ' ' ' A' . 0.0 OUTLIER -82.77 -48.69 10.54 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.572 -0.705 . . . . 0.0 109.795 179.613 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.524 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 87.3 mt -48.08 -47.82 12.84 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.529 -0.732 . . . . 0.0 110.002 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.533 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -47.65 -49.58 27.02 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.178 -0.951 . . . . 0.0 109.961 179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.452 ' O ' ' HB2' ' B' ' 43' ' ' ASN . 51.0 t80 -70.82 -59.02 3.04 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.181 -0.949 . . . . 0.0 110.171 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . 0.878 ' HB2' ' NH1' ' B' ' 36' ' ' ARG . . . -59.31 -21.58 59.94 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.331 -0.856 . . . . 0.0 110.579 -179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.524 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 10.2 tt -96.76 -41.2 8.59 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.168 -0.958 . . . . 0.0 110.139 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.533 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 68.8 tttt -72.95 -13.85 61.33 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.296 -0.878 . . . . 0.0 110.247 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.452 ' HB2' ' O ' ' B' ' 39' ' ' TYR . 56.3 m-20 -102.05 -2.72 28.93 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.2 -0.937 . . . . 0.0 110.244 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.274 0 N-CA-C 109.451 -1.46 . . . . 0.0 109.451 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.664 ' C8 ' ' CE2' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 47.5 t0 . . . . . 0 N--CA 1.492 1.631 0 CA-C-O 121.27 0.557 . . . . 0.0 110.241 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 79.2 mtm180 -121.63 141.3 51.26 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.268 -0.895 . . . . 0.0 110.236 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 161.18 -147.41 13.96 Favored Glycine 0 N--CA 1.49 2.242 0 N-CA-C 109.429 -1.468 . . . . 0.0 109.429 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD22 ' N ' ' B' ' 22' ' ' LEU . 3.6 mm? -81.35 133.97 35.5 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.243 -1.151 . . . . 0.0 110.187 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.486 ' O ' ' N ' ' B' ' 25' ' ' ARG . 23.8 p -87.42 35.64 0.72 Allowed 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.157 -0.965 . . . . 0.0 110.311 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.463 ' HB2' ' OP2' ' A' ' 2' ' ' ' C' . 2.2 t 67.23 -58.59 0.41 Allowed 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.247 -0.908 . . . . 0.0 110.385 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.486 ' N ' ' O ' ' B' ' 23' ' ' THR . 66.0 ttt180 -63.18 -18.23 63.26 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.275 -0.89 . . . . 0.0 110.209 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.489 ' HB3' HD12 ' B' ' 22' ' ' LEU . 15.4 t0 -69.4 -63.05 1.14 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.318 -0.864 . . . . 0.0 110.346 -179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 21.5 ttt180 -54.23 -28.01 38.31 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.21 -0.931 . . . . 0.0 109.99 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.469 ' O ' ' HG2' ' B' ' 32' ' ' ARG . 0.5 OUTLIER -77.04 -29.63 55.31 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.285 -0.884 . . . . 0.0 110.187 179.878 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.475 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 53.6 mtt180 -58.16 -31.3 67.12 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.252 -0.905 . . . . 0.0 110.224 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 31.9 mm -79.35 -48.19 21.42 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.156 -0.965 . . . . 0.0 110.512 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.03 -33.18 4.55 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.703 -1.248 . . . . 0.0 108.948 179.723 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.504 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 30.8 mmt180 -70.49 -28.93 65.36 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.753 -0.832 . . . . 0.0 108.753 178.769 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.545 ' N ' ' O ' ' B' ' 30' ' ' ILE . 46.7 t90 -51.83 -23.4 4.71 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.326 -0.859 . . . . 0.0 108.868 178.443 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.514 ' HG2' ' CE3' ' B' ' 33' ' ' TRP . 3.3 mm-40 -112.87 -5.99 13.83 Favored 'General case' 0 C--N 1.301 -1.514 0 CA-C-O 121.317 0.58 . . . . 0.0 110.33 -179.183 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.425 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 64.4 mttt -116.1 -11.17 11.42 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.438 -0.789 . . . . 0.0 109.396 179.153 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' B' ' 32' ' ' ARG . 36.3 ttp180 -99.73 -41.57 7.23 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.525 -0.735 . . . . 0.0 109.427 179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.527 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 12.4 mt -42.65 -45.63 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.595 0 O-C-N 121.492 -0.755 . . . . 0.0 109.471 179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -53.81 -47.66 70.62 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.46 -0.775 . . . . 0.0 109.795 179.39 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.664 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 36.5 t80 -64.43 -57.33 9.58 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.378 -0.827 . . . . 0.0 110.193 179.729 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.01 -16.65 64.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.346 -0.846 . . . . 0.0 110.584 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 3.1 tp -95.81 -40.14 9.49 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.12 -0.987 . . . . 0.0 110.048 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 44.9 mttm -74.05 -25.34 59.79 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.36 -0.838 . . . . 0.0 110.178 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 70.8 m-20 -90.88 130.41 36.83 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.235 -0.915 . . . . 0.0 110.225 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.327 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.93 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.683 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' B' ' 20' ' ' ARG . 52.3 t0 . . . . . 0 N--CA 1.491 1.593 0 CA-C-O 121.329 0.585 . . . . 0.0 110.274 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.418 ' HB2' ' O ' ' B' ' 19' ' ' ASP . 97.5 mtt180 54.29 40.44 31.72 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.207 -0.933 . . . . 0.0 110.23 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -160.52 -155.64 7.86 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.484 -1.446 . . . . 0.0 109.484 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.747 HD23 ' CG ' ' B' ' 26' ' ' ASP . 22.3 mt -97.11 119.79 36.26 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.211 -1.17 . . . . 0.0 110.224 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.518 ' OG1' ' CG ' ' B' ' 25' ' ' ARG . 54.1 p -106.84 164.26 12.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.309 -0.87 . . . . 0.0 110.216 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.683 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 54.9 m -42.24 -46.44 4.48 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.254 -0.904 . . . . 0.0 110.26 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.518 ' CG ' ' OG1' ' B' ' 23' ' ' THR . 22.6 ptt180 -62.71 -25.85 68.38 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.225 -0.922 . . . . 0.0 110.146 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.747 ' CG ' HD23 ' B' ' 22' ' ' LEU . 12.6 t0 -76.59 -56.09 4.93 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.223 -0.923 . . . . 0.0 109.953 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -64.33 -37.3 87.01 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.255 -0.903 . . . . 0.0 109.832 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.562 ' NH2' ' HD2' ' B' ' 32' ' ' ARG . 0.0 OUTLIER -74.81 -24.32 58.62 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.32 -0.862 . . . . 0.0 109.772 179.587 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.484 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 23.7 ttt180 -61.62 -40.71 95.82 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.416 -0.803 . . . . 0.0 110.152 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.511 ' HA ' ' HB3' ' B' ' 33' ' ' TRP . 72.5 mt -64.3 -49.75 79.65 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.2 -0.937 . . . . 0.0 110.342 -179.822 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.455 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -43.9 -28.35 0.44 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.03 -1.044 . . . . 0.0 108.742 179.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.562 ' HD2' ' NH2' ' B' ' 28' ' ' ARG . 3.9 mtp85 -86.92 -35.98 18.62 Favored 'General case' 0 C--N 1.304 -1.406 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 178.484 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.652 ' CE3' ' CG ' ' B' ' 34' ' ' GLU . 1.0 OUTLIER -45.91 -28.97 1.24 Allowed 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.457 -0.942 . . . . 0.0 108.457 178.772 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.652 ' CG ' ' CE3' ' B' ' 33' ' ' TRP . 2.1 mt-10 -87.89 -31.5 19.45 Favored 'General case' 0 C--N 1.304 -1.413 0 O-C-N 121.605 -0.685 . . . . 0.0 109.217 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' B' ' 32' ' ' ARG . 55.6 mtpt -78.01 -26.19 48.39 Favored 'General case' 0 N--CA 1.487 1.422 0 O-C-N 121.477 -0.764 . . . . 0.0 109.103 178.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.428 ' O ' ' N ' ' B' ' 39' ' ' TYR . 45.7 ttp180 -72.16 -43.19 65.0 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.395 -0.816 . . . . 0.0 109.832 179.612 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.613 HD12 ' HA ' ' B' ' 34' ' ' GLU . 91.2 mt -44.22 -48.38 2.19 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.478 0 O-C-N 121.303 -0.873 . . . . 0.0 109.166 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.536 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -52.2 -33.89 42.99 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.208 -0.933 . . . . 0.0 109.804 179.382 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.472 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 35.6 t80 -80.67 -56.82 3.89 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.251 -0.905 . . . . 0.0 110.16 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -68.59 -21.66 64.5 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.318 -0.864 . . . . 0.0 110.611 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 1.028 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.2 tm? -92.2 -23.02 19.5 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.182 -0.949 . . . . 0.0 110.058 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.536 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 76.9 tttt -94.68 -9.41 34.94 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.241 -0.912 . . . . 0.0 110.115 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . 0.437 ' ND2' ' CE1' ' B' ' 39' ' ' TYR . 91.1 m-20 -102.68 -10.45 19.2 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.365 -0.834 . . . . 0.0 110.327 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.2 0 N-CA-C 109.497 -1.441 . . . . 0.0 109.497 -179.961 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.443 ' O ' ' OD1' ' B' ' 19' ' ' ASP . 43.6 p30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 121.252 0.549 . . . . 0.0 110.259 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 83.8 mtp180 -114.38 128.2 56.23 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.285 -0.885 . . . . 0.0 110.23 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.17 -178.05 38.01 Favored Glycine 0 N--CA 1.49 2.265 0 N-CA-C 109.417 -1.473 . . . . 0.0 109.417 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.663 HD23 ' C ' ' B' ' 22' ' ' LEU . 8.2 tt -74.96 128.5 35.71 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.232 -1.158 . . . . 0.0 110.135 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.475 ' N ' HD23 ' B' ' 22' ' ' LEU . 77.7 p -115.8 168.0 10.44 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.21 -0.931 . . . . 0.0 110.238 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.522 ' CA ' ' OP2' ' A' ' 2' ' ' ' C' . 80.6 p -49.2 -32.39 10.3 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.261 -0.9 . . . . 0.0 110.094 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 79.2 mtt180 -60.28 -30.99 69.82 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.315 -0.866 . . . . 0.0 110.209 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.478 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 23.0 t0 -61.16 -49.69 76.2 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.242 -0.912 . . . . 0.0 110.044 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.494 ' HG3' ' OP2' ' A' ' 3' ' ' ' C' . 39.3 mmt180 -60.57 -50.43 73.57 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.103 -0.998 . . . . 0.0 109.657 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.51 ' HD3' ' OP2' ' A' ' 4' ' ' ' C' . 14.0 mmm180 -61.79 -35.61 78.66 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.218 -0.927 . . . . 0.0 109.373 179.206 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.478 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 6.1 mtp180 -50.67 -40.59 54.01 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.472 -0.767 . . . . 0.0 110.244 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' B' ' 33' ' ' TRP . 70.8 mt -80.26 -47.04 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.537 0 O-C-N 121.101 -0.999 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.24 -26.08 1.81 Allowed 'General case' 0 N--CA 1.487 1.41 0 O-C-N 120.626 -1.296 . . . . 0.0 108.143 179.358 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.507 ' HA ' ' HB2' ' B' ' 35' ' ' LYS . 42.2 mtp180 -83.58 -28.91 28.21 Favored 'General case' 0 N--CA 1.486 1.338 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 178.411 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.611 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 40.9 t90 -53.56 -21.59 6.82 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 108.726 -0.842 . . . . 0.0 108.726 178.351 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.611 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.7 mt-10 -106.32 -20.7 13.31 Favored 'General case' 0 C--N 1.302 -1.5 0 CA-C-O 121.297 0.57 . . . . 0.0 109.912 -179.683 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.507 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 93.4 mttt -96.12 -17.19 21.05 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.398 -0.814 . . . . 0.0 109.304 179.132 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.497 ' HG3' " O2'" ' A' ' 7' ' ' ' A' . 33.0 ttp180 -85.82 -44.53 12.38 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.515 -0.741 . . . . 0.0 109.788 179.734 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.522 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 59.5 mt -44.3 -49.41 2.12 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.358 -0.839 . . . . 0.0 110.015 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -44.83 -59.57 2.47 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.257 -0.902 . . . . 0.0 110.202 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.483 ' CG ' " H1'" ' A' ' 7' ' ' ' A' . 20.7 t80 -56.76 -61.37 2.48 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.245 -0.909 . . . . 0.0 110.206 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -60.91 -13.27 14.72 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.298 -0.876 . . . . 0.0 110.365 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.522 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 2.4 tp -97.02 -36.65 10.45 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.254 -0.903 . . . . 0.0 110.204 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -79.15 -14.17 59.27 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.213 -0.93 . . . . 0.0 110.278 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -88.59 -8.09 55.29 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.231 -0.918 . . . . 0.0 110.295 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 2.212 0 CA-C-O 117.972 -1.46 . . . . 0.0 109.508 -179.982 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.69 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 52.9 p30 . . . . . 0 N--CA 1.492 1.651 0 CA-C-O 121.193 0.52 . . . . 0.0 110.183 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 55.2 ttt85 -80.67 136.37 36.19 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.281 -0.887 . . . . 0.0 110.265 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -66.45 -30.59 76.8 Favored Glycine 0 N--CA 1.489 2.215 0 N-CA-C 109.393 -1.483 . . . . 0.0 109.393 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.626 HD23 ' OD2' ' B' ' 26' ' ' ASP . 82.8 mt -113.53 106.76 14.93 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.319 -1.106 . . . . 0.0 110.099 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 20.1 p -86.77 -166.22 1.5 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.306 -0.871 . . . . 0.0 110.149 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.484 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 93.6 p -67.97 -46.77 70.44 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.185 -0.947 . . . . 0.0 109.784 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.516 ' O ' ' N ' ' B' ' 29' ' ' ARG . 90.7 mtt180 -54.41 -49.71 69.3 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.317 -0.865 . . . . 0.0 110.013 179.808 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.626 ' OD2' HD23 ' B' ' 22' ' ' LEU . 11.6 t0 -56.72 -64.15 0.97 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.295 -0.878 . . . . 0.0 110.162 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 26.4 mmm180 -51.32 -45.65 62.34 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.307 -0.87 . . . . 0.0 109.977 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.519 ' O ' ' NE ' ' B' ' 32' ' ' ARG . 15.2 ttt-85 -75.76 -14.99 60.33 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.248 -0.907 . . . . 0.0 109.932 179.789 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.516 ' N ' ' O ' ' B' ' 25' ' ' ARG . 3.8 mtp-105 -75.45 -36.49 60.71 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.217 -0.927 . . . . 0.0 110.507 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' B' ' 33' ' ' TRP . 68.9 mt -66.96 -50.75 61.63 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.533 0 O-C-N 121.047 -1.033 . . . . 0.0 110.537 -179.69 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.436 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -45.8 -34.26 3.6 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 120.866 -1.146 . . . . 0.0 108.764 179.725 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.55 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 0.0 OUTLIER -67.06 -36.06 81.2 Favored 'General case' 0 N--CA 1.487 1.383 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 178.445 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.578 ' O ' HD12 ' B' ' 37' ' ' ILE . 43.2 t90 -46.46 -24.09 0.46 Allowed 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.483 -0.761 . . . . 0.0 109.962 178.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.402 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.7 mt-10 -112.1 -17.79 12.74 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.458 -0.776 . . . . 0.0 110.71 -178.593 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.417 ' O ' ' HD3' ' B' ' 36' ' ' ARG . 74.4 mmtt -111.41 2.94 17.82 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.174 -0.954 . . . . 0.0 109.509 178.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.565 ' HD2' " C4'" ' A' ' 7' ' ' ' A' . 23.7 mmt180 -118.0 -39.14 3.12 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.496 -0.752 . . . . 0.0 109.515 179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.578 HD12 ' O ' ' B' ' 33' ' ' TRP . 10.3 mt -48.58 -29.82 2.77 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.444 0 O-C-N 121.241 -0.912 . . . . 0.0 108.954 179.039 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -55.26 -36.47 66.11 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.619 -0.676 . . . . 0.0 110.076 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.69 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 28.1 t80 -73.49 -62.14 1.58 Allowed 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.329 -0.857 . . . . 0.0 110.094 179.829 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.38 -16.39 8.99 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.345 -0.847 . . . . 0.0 110.433 -179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 5.2 tp -98.55 -43.47 6.85 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.215 -0.928 . . . . 0.0 110.23 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . . . . . . . . . 50.2 tttm -71.73 -17.58 62.2 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.226 -0.921 . . . . 0.0 110.06 179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.1 m-20 -113.57 133.3 55.35 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.248 -0.908 . . . . 0.0 110.147 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.289 0 CA-C-O 117.928 -1.484 . . . . 0.0 109.543 -179.944 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 . . . . . 0 N--CA 1.492 1.643 0 CA-C-O 121.23 0.538 . . . . 0.0 110.195 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 94.9 mtt-85 -68.12 -30.76 69.98 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.237 -0.914 . . . . 0.0 110.226 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 82.47 -8.22 62.36 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.568 -1.413 . . . . 0.0 109.568 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.566 HD13 ' NH1' ' B' ' 27' ' ' ARG . 68.2 mt -117.33 147.54 42.52 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.196 -1.179 . . . . 0.0 110.136 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 32.8 p -117.85 -171.59 2.09 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.221 -0.924 . . . . 0.0 110.364 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.486 ' O ' ' HB3' ' B' ' 28' ' ' ARG . 81.9 p -66.84 -18.04 65.18 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.39 -0.819 . . . . 0.0 110.313 -179.825 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.488 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 32.8 ttm180 -86.09 -22.1 27.32 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.092 -1.005 . . . . 0.0 110.079 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . . . . . . . . . 51.5 t0 -105.87 -47.57 3.84 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.267 -0.896 . . . . 0.0 110.078 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.566 ' NH1' HD13 ' B' ' 22' ' ' LEU . 7.4 tpm_? -61.51 -39.68 91.86 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.21 -0.931 . . . . 0.0 110.087 179.864 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.53 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 4.6 tpt180 -79.54 -27.45 41.29 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.268 -0.895 . . . . 0.0 110.085 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.488 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 21.3 tpt180 -67.21 -33.82 76.17 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.367 -0.833 . . . . 0.0 110.634 -179.575 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.543 ' O ' ' N ' ' B' ' 33' ' ' TRP . 64.8 mt -85.19 -48.56 16.28 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.631 0 O-C-N 120.969 -1.082 . . . . 0.0 110.735 -179.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.13 -26.44 1.88 Allowed 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.605 -1.309 . . . . 0.0 108.099 179.456 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.567 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 85.0 mtm180 -84.93 -30.22 24.51 Favored 'General case' 0 C--N 1.304 -1.403 0 N-CA-C 108.395 -0.965 . . . . 0.0 108.395 178.236 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.615 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 54.0 t90 -55.01 -17.42 3.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.679 -0.638 . . . . 0.0 109.515 178.72 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.615 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 13.1 mt-10 -114.1 -27.29 7.73 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.523 -0.735 . . . . 0.0 110.454 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.427 ' O ' ' HG2' ' B' ' 35' ' ' LYS . 87.1 tttt -95.36 -6.46 41.02 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.106 -0.996 . . . . 0.0 109.626 179.155 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.567 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 18.9 mmt180 -105.12 -38.83 6.42 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.328 -0.858 . . . . 0.0 110.037 179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.526 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.9 mt -45.19 -31.34 0.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.152 -0.968 . . . . 0.0 108.881 179.237 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.475 ' O ' ' N ' ' B' ' 42' ' ' LYS . . . -54.84 -53.23 58.01 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.688 -0.632 . . . . 0.0 110.06 179.51 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.573 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 45.0 t80 -57.28 -62.64 1.62 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.196 -0.94 . . . . 0.0 110.129 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -57.83 -22.12 46.0 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.232 -0.917 . . . . 0.0 110.236 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.682 HD23 ' O ' ' B' ' 41' ' ' LEU . 9.9 tt -92.34 -24.36 18.95 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.249 -0.907 . . . . 0.0 110.091 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.475 ' N ' ' O ' ' B' ' 38' ' ' ALA . 36.6 tttp -94.19 -10.33 33.42 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.207 -0.933 . . . . 0.0 110.169 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 86.0 m-20 -127.5 119.03 25.13 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.27 -0.893 . . . . 0.0 110.204 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.304 0 CA-C-O 118.003 -1.443 . . . . 0.0 109.5 179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . 0.409 ' C ' ' OD1' ' B' ' 19' ' ' ASP . 46.5 p-10 . . . . . 0 N--CA 1.491 1.614 0 CA-C-O 121.21 0.529 . . . . 0.0 110.229 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . 0.501 ' O ' ' CD2' ' B' ' 22' ' ' LEU . 92.6 mtt180 -65.69 -27.57 68.44 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.29 -0.881 . . . . 0.0 110.266 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . 0.563 ' C ' HD22 ' B' ' 22' ' ' LEU . . . 86.35 -13.27 58.31 Favored Glycine 0 N--CA 1.491 2.304 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.798 HD22 ' N ' ' B' ' 22' ' ' LEU . 3.1 mm? -102.72 117.47 34.73 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.24 -1.153 . . . . 0.0 110.196 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 33.3 p -68.07 179.51 1.5 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.258 -0.901 . . . . 0.0 110.169 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.556 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 14.3 p -63.4 -16.26 59.99 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.23 -0.919 . . . . 0.0 109.866 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.54 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 84.1 mtm180 -68.56 -43.13 77.29 Favored 'General case' 0 N--CA 1.488 1.458 0 O-C-N 121.304 -0.872 . . . . 0.0 110.114 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.687 ' OD2' HD12 ' B' ' 22' ' ' LEU . 41.6 t0 -53.66 -62.14 1.85 Allowed 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.217 -0.927 . . . . 0.0 110.546 -179.869 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 -52.48 -54.32 33.97 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.226 -0.921 . . . . 0.0 110.391 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.476 ' O ' ' HG2' ' B' ' 28' ' ' ARG . 1.2 ttt-85 -69.25 -17.62 63.78 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.224 -0.923 . . . . 0.0 110.287 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.54 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 30.2 ttm180 -73.54 -26.38 60.83 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.173 -0.954 . . . . 0.0 110.389 -179.789 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.565 ' O ' ' N ' ' B' ' 33' ' ' TRP . 47.5 mt -78.92 -52.06 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.551 0 O-C-N 120.973 -1.079 . . . . 0.0 110.448 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.419 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.89 -26.26 2.36 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 120.565 -1.335 . . . . 0.0 108.115 179.345 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.555 ' HB3' ' CG ' ' B' ' 36' ' ' ARG . 12.2 mmp_? -75.2 -30.36 60.61 Favored 'General case' 0 N--CA 1.487 1.408 0 N-CA-C 108.53 -0.915 . . . . 0.0 108.53 178.416 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.565 ' N ' ' O ' ' B' ' 30' ' ' ILE . 53.4 t90 -53.17 -20.73 4.19 Favored 'General case' 0 N--CA 1.49 1.54 0 CA-C-O 121.696 0.76 . . . . 0.0 109.358 178.668 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.502 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.4 mt-10 -113.28 -18.59 12.03 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.691 -0.631 . . . . 0.0 110.373 -178.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . . . . . . . . . 71.9 mmtt -102.14 -13.25 17.54 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.283 -0.886 . . . . 0.0 109.491 179.176 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.608 ' HD3' " H4'" ' A' ' 7' ' ' ' A' . 5.0 mmp_? -97.29 -42.38 7.82 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.454 -0.779 . . . . 0.0 109.903 179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.514 ' CD1' ' O ' ' B' ' 33' ' ' TRP . 18.4 mt -43.07 -36.37 0.79 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 121.379 -0.826 . . . . 0.0 109.608 179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . . . . . . . . . . . -49.22 -28.39 4.52 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.411 -0.806 . . . . 0.0 109.988 179.635 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.585 ' CD1' " H1'" ' A' ' 7' ' ' ' A' . 52.9 t80 -80.39 -62.45 1.67 Allowed 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.328 -0.858 . . . . 0.0 110.031 179.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.33 -16.42 14.32 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.381 -0.825 . . . . 0.0 110.196 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.995 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.2 tm? -97.71 -25.22 15.16 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.336 -0.852 . . . . 0.0 110.084 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.452 ' HG2' ' O ' ' B' ' 42' ' ' LYS . 85.7 tttt -96.13 -2.47 46.4 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.329 -0.857 . . . . 0.0 110.301 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 82.0 m-20 -129.2 105.73 8.36 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.188 -0.945 . . . . 0.0 110.23 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.301 0 N-CA-C 109.415 -1.474 . . . . 0.0 109.415 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.0 p30 . . . . . 0 N--CA 1.491 1.604 0 CA-C-O 121.25 0.548 . . . . 0.0 110.171 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 ttt180 -71.09 -25.64 62.7 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.191 -0.943 . . . . 0.0 110.157 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 178.45 -168.62 39.85 Favored Glycine 0 N--CA 1.489 2.188 0 N-CA-C 109.533 -1.427 . . . . 0.0 109.533 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.62 HD23 ' C ' ' B' ' 22' ' ' LEU . 9.0 tt -103.83 131.11 51.35 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.274 -1.133 . . . . 0.0 110.208 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.46 ' N ' HD23 ' B' ' 22' ' ' LEU . 45.9 p -121.11 170.28 9.7 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.304 -0.872 . . . . 0.0 110.124 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.525 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 32.6 t -50.83 -40.02 54.71 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.256 -0.903 . . . . 0.0 110.019 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.48 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 49.7 ttp180 -58.66 -40.96 84.99 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.267 -0.895 . . . . 0.0 110.098 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.498 ' OD2' ' HA ' ' B' ' 22' ' ' LEU . 78.1 m-20 -55.34 -67.49 0.27 Allowed 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.298 -0.876 . . . . 0.0 110.278 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . 0.495 ' HD2' ' OP2' ' A' ' 3' ' ' ' C' . 17.2 ptp180 -51.44 -46.09 62.9 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.127 -0.983 . . . . 0.0 109.982 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.547 ' CZ ' ' OP2' ' A' ' 4' ' ' ' C' . 23.0 ttt85 -66.33 -28.38 68.63 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.099 -1.001 . . . . 0.0 109.514 179.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.48 ' HB2' ' O ' ' B' ' 25' ' ' ARG . 61.5 ttp85 -55.73 -42.0 74.7 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.307 -0.871 . . . . 0.0 109.943 179.792 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 33' ' ' TRP . 59.6 mt -67.45 -45.62 85.14 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.139 -0.976 . . . . 0.0 110.11 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.465 ' HB1' HH21 ' B' ' 32' ' ' ARG . . . -46.76 -28.97 1.7 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.839 -1.163 . . . . 0.0 108.596 179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.546 ' CD ' ' OP1' ' A' ' 8' ' ' ' A' . 5.6 mmp_? -64.0 -35.17 79.84 Favored 'General case' 0 C--N 1.305 -1.332 0 N-CA-C 108.318 -0.993 . . . . 0.0 108.318 178.429 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.589 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 31.9 t90 -42.81 -31.84 0.54 Allowed 'General case' 0 N--CA 1.49 1.569 0 CA-C-O 121.889 0.852 . . . . 0.0 109.183 178.671 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.589 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 43.5 mt-10 -93.9 -21.55 19.16 Favored 'General case' 0 C--N 1.3 -1.577 0 CA-C-O 121.265 0.555 . . . . 0.0 110.029 -179.533 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.514 ' N ' ' O ' ' B' ' 32' ' ' ARG . 68.2 mmtt -93.38 -16.43 24.63 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.388 -0.82 . . . . 0.0 109.118 178.739 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.504 ' HG2' " H5'" ' A' ' 8' ' ' ' A' . 31.4 mtp180 -80.14 -44.5 19.78 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.608 -0.682 . . . . 0.0 109.607 179.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.525 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 96.1 mt -50.48 -48.03 26.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.452 0 O-C-N 121.424 -0.798 . . . . 0.0 109.668 179.851 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.482 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -49.52 -40.09 36.62 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.213 -0.929 . . . . 0.0 109.842 179.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.412 ' CE2' ' C4 ' ' A' ' 7' ' ' ' A' . 59.9 t80 -80.69 -56.96 3.79 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.436 -0.79 . . . . 0.0 110.138 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.45 -23.26 66.78 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.456 -0.777 . . . . 0.0 110.567 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.911 ' O ' HD13 ' B' ' 41' ' ' LEU . 3.4 tm? -89.68 -29.71 18.58 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.176 -0.952 . . . . 0.0 109.745 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.482 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 90.0 mttt -86.85 -22.86 25.52 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.345 -0.847 . . . . 0.0 110.016 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -90.05 -22.36 21.88 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.321 -0.862 . . . . 0.0 110.211 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.239 0 N-CA-C 109.472 -1.451 . . . . 0.0 109.472 -179.894 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 121.212 0.53 . . . . 0.0 110.199 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -67.41 -19.6 65.42 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.229 -0.92 . . . . 0.0 110.183 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . 157.11 -145.82 12.66 Favored Glycine 0 N--CA 1.49 2.248 0 N-CA-C 109.404 -1.478 . . . . 0.0 109.404 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.495 ' CA ' ' OD2' ' B' ' 26' ' ' ASP . 84.2 mt -117.27 127.98 54.61 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.191 -1.182 . . . . 0.0 110.274 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . 0.501 ' N ' ' OD2' ' B' ' 26' ' ' ASP . 44.0 p -73.03 178.03 4.6 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.253 -0.904 . . . . 0.0 110.164 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.535 ' N ' ' OP2' ' A' ' 2' ' ' ' C' . 82.9 p -63.17 -15.03 55.57 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.304 -0.872 . . . . 0.0 110.161 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . . . . . . . . . 28.2 ttm180 -76.1 -29.77 58.01 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.327 -0.858 . . . . 0.0 110.241 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.501 ' OD2' ' N ' ' B' ' 23' ' ' THR . 69.3 m-20 -61.86 -52.92 62.14 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.198 -0.939 . . . . 0.0 110.159 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 62.4 ttm-85 -60.13 -50.87 72.0 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.135 -0.978 . . . . 0.0 109.659 179.733 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . . . . . . . . . 7.3 ttt-85 -64.55 -30.88 71.91 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.358 -0.839 . . . . 0.0 109.653 179.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.498 ' HB2' ' O ' ' B' ' 26' ' ' ASP . 0.1 OUTLIER -51.89 -34.55 41.77 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.35 -0.844 . . . . 0.0 109.697 179.722 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.561 ' O ' ' N ' ' B' ' 33' ' ' TRP . 90.1 mt -73.4 -45.65 51.64 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.471 0 O-C-N 121.25 -0.907 . . . . 0.0 110.188 179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.405 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -48.38 -26.03 1.88 Allowed 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.622 -1.299 . . . . 0.0 108.657 179.288 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.559 ' HB3' ' NE ' ' B' ' 36' ' ' ARG . 4.6 mmp_? -72.3 -28.62 63.21 Favored 'General case' 0 N--CA 1.486 1.348 0 N-CA-C 108.492 -0.929 . . . . 0.0 108.492 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.605 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 43.3 t90 -50.03 -23.95 2.35 Favored 'General case' 0 N--CA 1.489 1.504 0 CA-C-O 121.86 0.838 . . . . 0.0 109.004 178.283 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.605 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 9.6 mt-10 -104.91 -0.78 26.68 Favored 'General case' 0 C--N 1.302 -1.459 0 CA-C-O 121.494 0.664 . . . . 0.0 110.071 -179.518 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.486 ' HB2' ' HA ' ' B' ' 32' ' ' ARG . 73.9 mmtt -115.81 -22.75 8.95 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.455 -0.778 . . . . 0.0 108.91 178.653 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.559 ' NE ' ' HB3' ' B' ' 32' ' ' ARG . 50.4 mtt180 -79.02 -45.48 20.11 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.531 -0.731 . . . . 0.0 109.459 179.181 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.531 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 60.3 mt -42.19 -52.95 0.8 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.603 -0.686 . . . . 0.0 109.643 179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.472 ' O ' ' CG ' ' B' ' 42' ' ' LYS . . . -47.13 -46.09 22.93 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.278 -0.889 . . . . 0.0 110.098 179.596 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.458 ' CE2' ' C8 ' ' A' ' 7' ' ' ' A' . 43.3 t80 -70.92 -59.4 2.81 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.253 -0.904 . . . . 0.0 110.26 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -62.87 -17.47 61.6 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.375 -0.828 . . . . 0.0 110.477 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.531 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 1.7 tp -96.06 -39.13 9.89 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.28 -0.887 . . . . 0.0 110.116 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.472 ' CG ' ' O ' ' B' ' 38' ' ' ALA . 60.8 mttm -78.69 -16.28 57.46 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.28 -0.887 . . . . 0.0 110.252 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 80.8 m-20 -112.91 122.18 46.86 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.28 -0.887 . . . . 0.0 110.119 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 2.322 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 -179.964 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.619 " H2'" " O4'" ' A' ' 3' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.628 ' C8 ' ' CZ ' ' B' ' 39' ' ' TYR . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 56.6 p-10 . . . . . 0 N--CA 1.492 1.672 0 CA-C-O 121.189 0.519 . . . . 0.0 110.17 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 98.8 mtt180 -69.32 145.66 52.82 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.293 -0.879 . . . . 0.0 110.165 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.54 -28.32 69.67 Favored Glycine 0 N--CA 1.489 2.177 0 N-CA-C 109.549 -1.42 . . . . 0.0 109.549 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' B' ' 26' ' ' ASP . 70.7 mt -127.43 140.96 51.81 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.236 -1.155 . . . . 0.0 110.283 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 22.3 p -109.68 -174.46 2.5 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.233 -0.917 . . . . 0.0 110.143 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.421 ' HB3' ' OP2' ' A' ' 2' ' ' ' C' . 73.1 p -60.94 -29.96 69.94 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.252 -0.905 . . . . 0.0 109.967 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.531 ' O ' ' CB ' ' B' ' 29' ' ' ARG . 79.7 ttt180 -67.3 -48.96 66.06 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.342 -0.849 . . . . 0.0 110.124 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.532 ' HB3' HD22 ' B' ' 22' ' ' LEU . 97.5 m-20 -57.77 -54.56 45.54 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 121.298 -0.876 . . . . 0.0 110.311 -179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.0 tpp180 -57.13 -54.8 42.71 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.21 -0.931 . . . . 0.0 110.035 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.535 ' NH1' ' OP2' ' A' ' 4' ' ' ' C' . 31.5 ttt85 -68.45 -16.7 64.0 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.214 -0.929 . . . . 0.0 109.991 179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.531 ' CB ' ' O ' ' B' ' 25' ' ' ARG . 31.1 ttt180 -73.81 -37.13 65.01 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.252 -0.905 . . . . 0.0 110.307 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.555 ' O ' ' N ' ' B' ' 33' ' ' TRP . 58.1 mt -74.43 -50.3 27.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.119 -0.988 . . . . 0.0 110.648 -179.709 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' B' ' 30' ' ' ILE . . . -47.24 -30.97 3.34 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 120.833 -1.167 . . . . 0.0 108.664 179.563 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.573 ' CA ' ' HG2' ' B' ' 36' ' ' ARG . 29.2 mtp180 -69.07 -31.59 70.45 Favored 'General case' 0 N--CA 1.487 1.413 0 N-CA-C 108.64 -0.874 . . . . 0.0 108.64 178.607 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.555 ' N ' ' O ' ' B' ' 30' ' ' ILE . 50.6 t90 -51.92 -20.2 2.19 Favored 'General case' 0 N--CA 1.49 1.536 0 CA-C-O 121.545 0.688 . . . . 0.0 109.965 179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.417 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 16.6 mt-10 -113.85 -13.97 12.55 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.493 -0.754 . . . . 0.0 110.641 -178.731 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.432 ' HE3' ' HB3' ' B' ' 35' ' ' LYS . 30.0 mmmt -113.77 -4.25 13.4 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.161 -0.962 . . . . 0.0 109.353 178.732 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.573 ' HG2' ' CA ' ' B' ' 32' ' ' ARG . 45.4 mmt-85 -110.63 -40.31 4.63 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 121.473 -0.767 . . . . 0.0 109.695 179.704 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.538 HD12 ' O ' ' B' ' 33' ' ' TRP . 8.3 mt -45.1 -33.05 1.05 Allowed 'Isoleucine or valine' 0 N--CA 1.489 1.523 0 O-C-N 121.224 -0.923 . . . . 0.0 108.82 179.012 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.438 ' HB1' ' HE3' ' B' ' 42' ' ' LYS . . . -51.5 -35.89 42.19 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.585 -0.697 . . . . 0.0 109.706 179.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . 0.628 ' CZ ' ' C8 ' ' A' ' 7' ' ' ' A' . 44.3 t80 -70.07 -62.89 1.21 Allowed 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.355 -0.841 . . . . 0.0 109.892 179.608 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -58.54 -14.81 8.95 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.438 -0.789 . . . . 0.0 110.158 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 tp -97.52 -45.79 6.28 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.248 -0.908 . . . . 0.0 109.979 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.438 ' HE3' ' HB1' ' B' ' 38' ' ' ALA . 96.1 mttt -70.5 -18.6 62.96 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.278 -0.889 . . . . 0.0 110.099 179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -108.35 117.78 35.04 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.314 -0.866 . . . . 0.0 110.213 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.281 0 CA-C-O 117.954 -1.47 . . . . 0.0 109.447 179.945 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.448 -0.442 0 N19-C1'-C2' 110.84 -1.6 . 0.0 '__' . 1.52 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ' C' . . . . . 0.71 " H3'" ' OG ' ' B' ' 24' ' ' SER . . . . . . . . 0 C4'--C3' 1.519 -0.414 0 O4'-C4'-C3' 103.738 -1.258 . 0.158 1m . 0.83999999999999997 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ' C' . . . . . 0.619 " O4'" " H2'" ' A' ' 2' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.446 -0.614 0 O4'-C1'-C2' 107.959 1.114 . 0.0 OUTLIER . 1.2 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ' C' . . . . . 0.659 " H2'" ' H6 ' ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.516 -0.758 0 C5'-C4'-O4' 107.559 -1.172 . 0.0 OUTLIER gamma 0.72999999999999998 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ' U' . . . . . 0.659 ' H6 ' " H2'" ' A' ' 4' ' ' ' C' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.34 -1.543 OUTLIER-EPSILON 0.71 1a . 0.77000000000000002 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ' G' . . . . . 0.588 " O5'" " C2'" ' A' ' 5' ' ' ' U' . . . . . . . . 0 C4'--C3' 1.517 -0.617 0 O4'-C4'-C3' 103.192 -1.649 . 0.0 OUTLIER epsilon-1 0.69999999999999996 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ' A' . . . . . 0.61 " H2'" " O4'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 O4'--C4' 1.445 -0.671 0 O4'-C4'-C3' 103.065 -1.739 . 0.067 1g . 0.73999999999999999 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ' A' . . . . . 0.617 ' N6 ' ' C6 ' ' A' ' 10' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.518 -0.52 0 O4'-C1'-C2' 107.894 1.067 OUTLIER-EPSILON 0.116 1a . 0.66000000000000003 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ' A' . . . . . 0.522 " H3'" " O2'" ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C4'-C3' 103.704 -1.283 . 0.0 OUTLIER epsilon-1 2.3500000000000001 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ' A' . . . . . 0.617 ' C6 ' ' N6 ' ' A' ' 8' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.68 0 O4'-C1'-N19 106.363 -1.837 . 0.0 OUTLIER . 2.1099999999999999 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ' A' . . . . . 0.931 " H2'" " O4'" ' A' ' 12' ' ' ' G' . . . . . . . . 0 O3'--C3' 1.432 0.647 0 C3'-C2'-C1' 102.508 1.12 . 0.037 1a . 0.77000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ' G' . . . . . 0.931 " O4'" " H2'" ' A' ' 11' ' ' ' A' . . . . . . . . 0 C4'--C3' 1.517 -0.669 0 C5'-C4'-O4' 107.258 -1.387 . 0.0 OUTLIER gamma 0.68000000000000005 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ' G' . . . . . 0.584 " H2'" ' C8 ' ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.796 0 C3'-C2'-C1' 102.569 1.188 . 0.554 1a . 0.66000000000000003 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ' G' . . . . . 0.584 ' C8 ' " H2'" ' A' ' 13' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.86 0 O4'-C4'-C3' 103.65 -1.322 . 0.622 1a . 0.90000000000000002 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ' C' . . . . . 0.484 " H5'" " O2'" ' A' ' 14' ' ' ' G' . . . . . . . . 0 C4'--C3' 1.515 -0.802 0 O4'-C4'-C3' 103.242 -1.613 . 0.592 1a . 1.3100000000000001 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' ASP . . . . . . . . . . . . . 59.9 p30 . . . . . 0 N--CA 1.491 1.598 0 CA-C-O 121.196 0.522 . . . . 0.0 110.263 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ARG . . . . . . . . . . . . . 75.2 mtp85 -114.61 146.61 40.61 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.254 -0.904 . . . . 0.0 110.173 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.48 -17.67 79.85 Favored Glycine 0 N--CA 1.49 2.258 0 N-CA-C 109.551 -1.42 . . . . 0.0 109.551 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' LEU . . . . . 0.724 HD23 ' OD2' ' B' ' 26' ' ' ASP . 49.2 mt -106.17 131.63 53.2 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.219 -1.165 . . . . 0.0 110.158 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' THR . . . . . . . . . . . . . 55.5 p -114.82 167.92 10.35 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.253 -0.904 . . . . 0.0 110.334 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' SER . . . . . 0.71 ' OG ' " H3'" ' A' ' 2' ' ' ' C' . 14.6 m -51.32 -28.44 12.19 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.377 -0.827 . . . . 0.0 110.204 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' ARG . . . . . 0.402 ' O ' ' HB2' ' B' ' 29' ' ' ARG . 94.8 mtt180 -79.71 -32.06 41.24 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.18 -0.95 . . . . 0.0 110.216 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' ASP . . . . . 0.724 ' OD2' HD23 ' B' ' 22' ' ' LEU . 20.2 t0 -63.84 -53.04 56.88 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.256 -0.902 . . . . 0.0 110.065 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ARG . . . . . . . . . . . . . 19.1 mmt85 -49.43 -62.64 1.43 Allowed 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.229 -0.919 . . . . 0.0 109.77 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' ARG . . . . . 0.532 ' O ' ' CG ' ' B' ' 32' ' ' ARG . 24.8 mmm180 -52.24 -33.06 39.71 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.129 -0.982 . . . . 0.0 109.589 179.608 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.474 ' HB3' ' O ' ' B' ' 26' ' ' ASP . 33.7 ttt180 -55.56 -42.66 75.01 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.308 -0.87 . . . . 0.0 110.148 179.843 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ILE . . . . . 0.526 ' O ' ' HB3' ' B' ' 33' ' ' TRP . 69.5 mt -95.61 -48.96 12.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.2 -0.937 . . . . 0.0 110.465 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ALA . . . . . 0.459 ' HA ' ' OE1' ' B' ' 34' ' ' GLU . . . -46.91 -27.27 1.2 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 120.757 -1.215 . . . . 0.0 108.079 179.306 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ARG . . . . . 0.544 ' CG ' ' OP1' ' A' ' 8' ' ' ' A' . 4.8 mmp_? -89.37 -31.29 17.85 Favored 'General case' 0 C--N 1.305 -1.339 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' TRP . . . . . 0.617 ' CE3' ' HG3' ' B' ' 34' ' ' GLU . 25.6 t90 -52.26 -22.89 4.88 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 108.613 -0.884 . . . . 0.0 108.613 178.391 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLU . . . . . 0.617 ' HG3' ' CE3' ' B' ' 33' ' ' TRP . 4.8 mt-10 -99.36 -21.26 16.1 Favored 'General case' 0 C--N 1.302 -1.492 0 CA-C-O 121.495 0.664 . . . . 0.0 109.675 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' LYS . . . . . 0.541 ' HG3' " C5'" ' A' ' 7' ' ' ' A' . 5.4 tppp? -95.18 -16.64 22.4 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.483 -0.761 . . . . 0.0 109.185 178.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' ARG . . . . . 0.449 ' N ' ' O ' ' B' ' 32' ' ' ARG . 58.4 ttt-85 -82.96 -44.48 15.24 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.491 -0.755 . . . . 0.0 110.027 179.708 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' ILE . . . . . 0.535 ' O ' ' CB ' ' B' ' 41' ' ' LEU . 85.9 mt -44.74 -50.71 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.276 -0.89 . . . . 0.0 109.544 179.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' ALA . . . . . 0.514 ' O ' ' CB ' ' B' ' 42' ' ' LYS . . . -50.25 -43.28 53.05 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.271 -0.893 . . . . 0.0 110.157 179.643 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' TYR . . . . . . . . . . . . . 40.1 t80 -73.93 -56.84 4.46 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.278 -0.889 . . . . 0.0 110.411 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' ALA . . . . . . . . . . . . . . . -66.6 -20.84 66.1 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.337 -0.852 . . . . 0.0 110.901 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.535 ' CB ' ' O ' ' B' ' 37' ' ' ILE . 0.8 OUTLIER -93.88 -36.45 12.21 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.104 -0.997 . . . . 0.0 110.029 179.93 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' LYS . . . . . 0.514 ' CB ' ' O ' ' B' ' 38' ' ' ALA . 44.6 tttm -80.09 -10.03 59.74 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.313 -0.867 . . . . 0.0 110.18 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' ASN . . . . . . . . . . . . . 75.3 m-20 -102.3 -8.29 21.36 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.18 -0.95 . . . . 0.0 110.304 -179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 2.255 0 CA-C-O 117.95 -1.472 . . . . 0.0 109.512 -179.968 . . . . . . . . 0 0 . 1 stop_ save_