data_1lcd_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 1lcd _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 ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 122.144 0.81 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.873 0.28 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo . . . . . 0 N--CA 1.477 0.541 0 CA-C-O 121.03 0.346 . . . . 0.0 111.258 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.446 1.994 2 C5'-C4'-C3' 106.715 -5.323 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C5'-C4'-O4' 114.003 2.877 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.492 -3.555 4 C1'-O4'-C4' 99.538 -7.258 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.194 1 C4'-C3'-C2' 107.217 4.017 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.449 1.379 1 O5'-C5'-C4' 116.588 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.505 -2.251 2 P-O3'-C3' 126.408 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-C2' 100.429 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.186 3 O4'-C1'-N19 114.989 8.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.487 -3.079 6 C1'-O4'-C4' 99.82 -7.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.466 2.717 1 C3'-C2'-C1' 96.829 -4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.244 1 C1'-O4'-C4' 101.336 -5.974 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.829 3 C1'-O4'-C4' 101.963 -5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C5'-C4'-C3' 109.049 -3.768 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.597 2 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 O4'-C1'-N19 102.199 -7.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ' DC' . . . . . 0.478 ' N4 ' ' H62' ' C' ' 6' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.444 1 C1'-O4'-C4' 102.935 -4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . 0.533 ' N6 ' HH22 ' A' ' 22' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.528 4 C3'-C2'-C1' 95.262 -5.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.5 -2.757 2 C5'-C4'-C3' 106.805 -5.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.458 2.054 4 O4'-C1'-N19 103.452 -5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.14 2 C5'-C4'-O4' 122.003 7.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.392 2 O5'-C5'-C4' 117.464 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 C1'-O4'-C4' 103.34 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 122.549 1.166 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -39.18 109.85 0.56 Allowed Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 127.466 2.306 . . . . 0.0 109.303 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -81.03 85.62 1.77 Allowed 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 121.059 1.173 . . . . 0.0 110.619 -172.529 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.533 HH22 ' N6 ' ' C' ' 6' ' ' ' DA' . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 835' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1632 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 1924 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2488 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2504 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2561 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2639 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 2869 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B 3293 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 1830 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 1959 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 1993 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 2518 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.454 1.745 3 O4'-C1'-N19 112.843 6.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . 0.425 ' H61' ' N6 ' ' C' ' 9' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.459 2.162 1 C1'-O4'-C4' 100.569 -6.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.591 5 C5'-C4'-O4' 123.232 8.645 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.819 2 P-O3'-C3' 126.266 5.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -1.719 1 C5'-C4'-O4' 116.677 4.548 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.508 -2.022 1 C5'-C4'-C3' 107.029 -5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.218 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 C3'-C2'-C1' 97.02 -4.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.44 1 C2'-C3'-O3' 122.616 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.608 1.514 0 O4'-C4'-C3' 109.264 3.664 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 3 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.489 -2.85 1 C1'-O4'-C4' 103.393 -4.505 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.477 1 C1'-O4'-C4' 102.143 -5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.441 1.603 3 P-O3'-C3' 126.579 5.732 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 C3'-C2'-C1' 95.906 -4.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ' DC' . . . . . 0.564 ' N4 ' HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 C4'--C3' 1.507 -2.052 1 C1'-O4'-C4' 103.978 -4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.607 2 C1'-O4'-C4' 103.754 -4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.044 2 C5'-C4'-O4' 119.501 6.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.818 4 O5'-C5'-C4' 119.706 6.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . 0.425 ' N6 ' ' H61' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.531 2.534 2 P-O3'-C3' 125.863 5.136 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.494 -1.915 2 C1'-O4'-C4' 100.415 -6.632 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.504 -2.437 1 C1'-O4'-C4' 100.989 -6.222 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -68.93 111.32 8.03 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 127.187 2.195 . . . . 0.0 110.967 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.98 158.49 30.79 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.689 1.593 . . . . 0.0 112.52 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . 0.564 HE22 ' N4 ' ' C' ' 5' ' ' ' DC' . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1619 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 1904 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2484 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2496 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2514 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 2963 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B 3303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 845' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 952' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1771 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1817 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1958 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 1961 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 C1'-O4'-C4' 100.13 -6.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 C4'-C3'-O3' 118.554 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 1 C4'-C3'-C2' 99.134 -4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.455 ' P ' ' HG1' ' A' ' 19' ' ' THR . . . . . . . . 0 P--O5' 1.618 2.543 1 P-O3'-C3' 125.109 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.503 -2.534 1 C5'-C4'-O4' 118.723 5.827 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.578 3 P-O3'-C3' 125.394 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 1.979 3 C3'-C2'-C1' 92.513 -7.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O5'-C5'-C4' 117.639 5.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O5'-C5'-C4' 115.799 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.585 2 O4'-C1'-N19 102.847 -6.191 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 1.458 2 C1'-O4'-C4' 101.725 -5.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.49 -2.823 0 O5'-C5'-C4' 115.275 3.625 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.452 1.621 1 C1'-O4'-C4' 103.195 -4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -1.607 1 O4'-C1'-C2' 101.259 -4.401 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.443 1 P-O3'-C3' 125.424 4.77 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.636 0 N19-C1'-C2' 108.073 -3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.231 0 P-O3'-C3' 123.78 3.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.594 0 C5'-C4'-O4' 115.502 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.848 3 O4'-C1'-N19 100.865 -8.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.882 1 P-O3'-C3' 125.702 5.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.765 2 P-O3'-C3' 125.335 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.213 0 O4'-C1'-N19 104.646 -3.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 122.634 1.206 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -136.33 111.14 9.89 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.406 -170.454 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 87.0 Cg_exo -47.99 113.12 0.7 Allowed 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.63 2.22 . . . . 0.0 111.258 171.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ALA . . . . . . . . . . . . . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.455 ' HG1' ' P ' ' B' ' 4' ' ' ' DT' . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' VAL . . . . . . . . . . . . . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' VAL . . . . . . . . . . . . . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 22.3 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 853' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 965' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2184 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2490 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2582 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 2691 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B 3303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 895' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C 1817 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C 2520 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.78 ' HA ' HD12 ' A' ' 48' ' ' ILE . 60.7 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 122.144 0.81 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 20' ' ' VAL . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' THR . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' SER . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 HG23 ' A' ' 30' ' ' VAL . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 HD22 ' A' ' 6' ' ' LEU 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ALA . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 HG11 ' A' ' 30' ' ' VAL . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ARG . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 54.8 m80 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 23' ' ' VAL . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 34' ' ' THR . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 3' ' ' PRO . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 47' ' ' TYR . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.873 0.28 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD22 HG12 ' A' ' 20' ' ' VAL . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 HD22 ' A' ' 6' ' ' LEU 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 38' ' ' VAL . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 70.6 m80 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 23' ' ' VAL . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 87.0 Cg_exo . . . . . 0 N--CA 1.477 0.541 0 CA-C-O 121.03 0.346 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 45' ' ' LEU . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.523 HD21 HG21 ' A' ' 24' ' ' VAL . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HA ' HG21 ' A' ' 20' ' ' VAL . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.783 HG21 HG22 ' A' ' 38' ' ' VAL . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG22 ' CG1' ' A' ' 38' ' ' VAL . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 6' ' ' LEU . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HH21 ' A' ' 22' ' ' ARG . 22.3 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 35' ' ' ARG . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HA ' ' NH2' ' A' ' 35' ' ' ARG . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' NH2' ' HA ' ' A' ' 32' ' ' ALA . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . 0.783 HG22 HG21 ' A' ' 15' ' ' VAL . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 4' ' ' VAL . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . 0.43 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.446 1.994 2 C5'-C4'-C3' 106.715 -5.323 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.43 ' C8 ' H2'' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C5'-C4'-O4' 114.003 2.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.516 " H2'" ' C5 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.492 -3.555 4 C1'-O4'-C4' 99.538 -7.258 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.516 ' C5 ' " H2'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.449 2.194 1 C4'-C3'-C2' 107.217 4.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.449 1.379 1 O5'-C5'-C4' 116.588 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.505 -2.251 2 P-O3'-C3' 126.408 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-C2' 100.429 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.186 3 O4'-C1'-N19 114.989 8.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.487 -3.079 6 C1'-O4'-C4' 99.82 -7.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.466 2.717 1 C3'-C2'-C1' 96.829 -4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . 0.511 " H1'" ' O ' ' B' 2869 ' ' HOH . . . . . . . . 0 C5'--C4' 1.529 2.244 1 C1'-O4'-C4' 101.336 -5.974 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.829 3 C1'-O4'-C4' 101.963 -5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . 0.478 ' H8 ' ' O ' ' C' 2570 ' ' HOH . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C5'-C4'-C3' 109.049 -3.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.493 " H5'" ' HA ' ' A' ' 50' ' ' ASN . . . . . . . . 0 C4'--C3' 1.502 -2.597 2 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.526 " H3'" ' HB3' ' A' ' 25' ' ' ASN . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 O4'-C1'-N19 102.199 -7.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ' DC' . . . . . 0.509 ' H5 ' ' O ' ' A' ' 55' ' ' HOH . . . . . . . . 0 C5'--C4' 1.531 2.444 1 C1'-O4'-C4' 102.935 -4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . 0.477 ' N6 ' HH22 ' A' ' 22' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.528 4 C3'-C2'-C1' 95.262 -5.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.5 -2.757 2 C5'-C4'-C3' 106.805 -5.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.458 2.054 4 O4'-C1'-N19 103.452 -5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.14 2 C5'-C4'-O4' 122.003 7.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.392 2 O5'-C5'-C4' 117.464 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 C1'-O4'-C4' 103.34 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 122.549 1.166 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -39.18 109.85 0.56 Allowed Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 127.466 2.306 . . . . 0.0 109.303 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.78 ' HA ' HD12 ' A' ' 48' ' ' ILE . 60.7 Cg_endo -81.03 85.62 1.77 Allowed 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 121.059 1.173 . . . . 0.0 110.619 -172.529 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 20' ' ' VAL . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' THR . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' SER . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 HG23 ' A' ' 30' ' ' VAL . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 HD22 ' A' ' 6' ' ' LEU 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ALA . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 HG11 ' A' ' 30' ' ' VAL . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ARG . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HB3' " H3'" ' B' ' 3' ' ' ' DT' . 90.3 m-70 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 23' ' ' VAL . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 34' ' ' THR . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 3' ' ' PRO . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 47' ' ' TYR . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HA ' " H5'" ' C' ' 3' ' ' ' DC' 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 835' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1632 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 1924 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2488 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2504 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2561 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2639 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 2869 ' ' HOH . . . . . 0.511 ' O ' " H1'" ' B' ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B 3293 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 1830 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 1959 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 1993 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 2518 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C 2570 ' ' HOH . . . . . 0.478 ' O ' ' H8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HOH . . . . . 0.509 ' O ' ' H5 ' ' C' ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.454 1.745 3 O4'-C1'-N19 112.843 6.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . 0.441 ' H8 ' ' O ' ' B' 3303 ' ' HOH . . . . . . . . 0 O3'--C3' 1.459 2.162 1 C1'-O4'-C4' 100.569 -6.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . 0.452 " H3'" ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.591 5 C5'-C4'-O4' 123.232 8.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.819 2 P-O3'-C3' 126.266 5.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.481 ' H1 ' ' H42' ' C' ' 7' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.427 -1.719 1 C5'-C4'-O4' 116.677 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.508 -2.022 1 C5'-C4'-C3' 107.029 -5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.218 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 C3'-C2'-C1' 97.02 -4.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.44 1 C2'-C3'-O3' 122.616 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.456 ' H6 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.608 1.514 0 O4'-C4'-C3' 109.264 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 3 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.683 " H2'" ' O ' ' C' 1958 ' ' HOH . . . . . . . . 0 C3'--C2' 1.489 -2.85 1 C1'-O4'-C4' 103.393 -4.505 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.477 1 C1'-O4'-C4' 102.143 -5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.523 ' H6 ' ' O ' ' C' 2471 ' ' HOH . . . . . . . . 0 O4'--C1' 1.441 1.603 3 P-O3'-C3' 126.579 5.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 C3'-C2'-C1' 95.906 -4.853 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ' DC' . . . . . 0.633 ' N4 ' HE22 ' A' ' 18' ' ' GLN . . . . . . . . 0 C4'--C3' 1.507 -2.052 1 C1'-O4'-C4' 103.978 -4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.607 2 C1'-O4'-C4' 103.754 -4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . 0.481 ' H42' ' H1 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 2 C5'-C4'-O4' 119.501 6.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.818 4 O5'-C5'-C4' 119.706 6.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 2 P-O3'-C3' 125.863 5.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . 0.422 H2'' " O4'" ' C' ' 11' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.494 -1.915 2 C1'-O4'-C4' 100.415 -6.632 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . 0.422 " O4'" H2'' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.437 1 C1'-O4'-C4' 100.989 -6.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -68.93 111.32 8.03 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 127.187 2.195 . . . . 0.0 110.967 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.98 158.49 30.79 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.689 1.593 . . . . 0.0 112.52 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD22 HG12 ' A' ' 20' ' ' VAL . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.796 ' HG3' ' O ' ' A' ' 53' ' ' HOH . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 HD22 ' A' ' 6' ' ' LEU 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 53' ' ' HOH . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 38' ' ' VAL . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' HB3' " H3'" ' B' ' 3' ' ' ' DT' . 71.9 m-70 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 23' ' ' VAL . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1619 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 1904 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2484 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2496 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2514 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 2963 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B 3303 ' ' HOH . . . . . 0.441 ' O ' ' H8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 845' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 952' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 1419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 1771 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 1817 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 1958 ' ' HOH . . . . . 0.683 ' O ' " H2'" ' C' ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C 1961 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C 2471 ' ' HOH . . . . . 0.523 ' O ' ' H6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 53' ' ' HOH . . . . . 0.796 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 67' ' ' HOH . . . . . 0.449 ' O ' ' H8 ' ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 C1'-O4'-C4' 100.13 -6.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 C4'-C3'-O3' 118.554 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 1 C4'-C3'-C2' 99.134 -4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.496 " H3'" ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 P--O5' 1.618 2.543 1 P-O3'-C3' 125.109 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ' DG' . . . . . 0.472 ' H8 ' ' O ' ' A' ' 75' ' ' HOH . . . . . . . . 0 C4'--C3' 1.503 -2.534 1 C5'-C4'-O4' 118.723 5.827 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.578 3 P-O3'-C3' 125.394 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 1.979 3 C3'-C2'-C1' 92.513 -7.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O5'-C5'-C4' 117.639 5.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O5'-C5'-C4' 115.799 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ' DC' . . . . . 0.426 ' H6 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.492 -2.585 2 O4'-C1'-N19 102.847 -6.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 1.458 2 C1'-O4'-C4' 101.725 -5.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ' DC' . . . . . 0.591 " H2'" ' O ' ' C' 1817 ' ' HOH . . . . . . . . 0 C3'--C2' 1.49 -2.823 0 O5'-C5'-C4' 115.275 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.452 1.621 1 C1'-O4'-C4' 103.195 -4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ' DC' . . . . . 0.408 " H5'" ' O ' ' A' ' 53' ' ' HOH . . . . . . . . 0 O4'--C4' 1.428 -1.607 1 O4'-C1'-C2' 101.259 -4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' ' DT' . . . . . 0.718 " H2'" ' O ' ' A' ' 60' ' ' HOH . . . . . . . . 0 O4'--C1' 1.452 2.443 1 P-O3'-C3' 125.424 4.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.636 0 N19-C1'-C2' 108.073 -3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.231 0 P-O3'-C3' 123.78 3.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.594 0 C5'-C4'-O4' 115.502 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.848 3 O4'-C1'-N19 100.865 -8.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.882 1 P-O3'-C3' 125.702 5.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.765 2 P-O3'-C3' 125.335 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.213 0 O4'-C1'-N19 104.646 -3.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 122.634 1.206 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -136.33 111.14 9.89 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.406 -170.454 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 87.0 Cg_exo -47.99 113.12 0.7 Allowed 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.63 2.22 . . . . 0.0 111.258 171.147 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 45' ' ' LEU . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD21 HG21 ' A' ' 24' ' ' VAL . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HA ' HG21 ' A' ' 20' ' ' VAL . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.783 HG21 HG22 ' A' ' 38' ' ' VAL . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . 0.496 ' HB2' " H3'" ' B' ' 4' ' ' ' DT' . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG22 ' CG1' ' A' ' 38' ' ' VAL . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 6' ' ' LEU . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HH21 ' A' ' 22' ' ' ARG . 13.0 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 35' ' ' ARG . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HA ' ' NH2' ' A' ' 35' ' ' ARG . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' NH2' ' HA ' ' A' ' 32' ' ' ALA . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . 0.783 HG22 HG21 ' A' ' 15' ' ' VAL . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 4' ' ' VAL . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 853' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 965' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 2184 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 2490 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 2582 ' ' HOH . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B 2691 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B 3303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 895' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C 1817 ' ' HOH . . . . . 0.591 ' O ' " H2'" ' C' ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C 2520 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 53' ' ' HOH . . . . . 0.408 ' O ' " H5'" ' C' ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 60' ' ' HOH . . . . . 0.718 ' O ' " H2'" ' C' ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 75' ' ' HOH . . . . . 0.472 ' O ' ' H8 ' ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.78 ' HA ' HD12 ' A' ' 48' ' ' ILE . 60.7 Cg_endo . . . . . 0 CA--C 1.53 0.287 0 CA-C-O 122.144 0.81 . . . . 0.0 110.619 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 20' ' ' VAL . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' THR . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' SER . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 HG23 ' A' ' 30' ' ' VAL . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 HD22 ' A' ' 6' ' ' LEU 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ALA . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 HG11 ' A' ' 30' ' ' VAL . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ARG . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 90.3 m-70 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 23' ' ' VAL . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 34' ' ' THR . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 3' ' ' PRO . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 47' ' ' TYR . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo . . . . . 0 C--O 1.236 0.392 0 CA-C-O 120.873 0.28 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.715 HD22 HG12 ' A' ' 20' ' ' VAL . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 HD22 ' A' ' 6' ' ' LEU 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 38' ' ' VAL . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 13.8 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 71.9 m-70 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 23' ' ' VAL . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 87.0 Cg_exo . . . . . 0 N--CA 1.477 0.541 0 CA-C-O 121.03 0.346 . . . . 0.0 111.258 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 45' ' ' LEU . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.523 HD21 HG21 ' A' ' 24' ' ' VAL . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HA ' HG21 ' A' ' 20' ' ' VAL . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.783 HG21 HG22 ' A' ' 38' ' ' VAL . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' VAL . . . . . 0.527 HG22 ' CG1' ' A' ' 38' ' ' VAL . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 6' ' ' LEU . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HH21 ' A' ' 22' ' ' ARG . 22.3 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 35' ' ' ARG . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HA ' ' NH2' ' A' ' 35' ' ' ARG . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.618 ' NH2' ' HA ' ' A' ' 32' ' ' ALA . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . 0.783 HG22 HG21 ' A' ' 15' ' ' VAL . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 4' ' ' VAL . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' TYR . . . . . 0.427 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . 0.43 H2'' ' C8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . 0 O4'--C1' 1.446 1.994 2 C5'-C4'-C3' 106.715 -5.323 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.43 ' C8 ' H2'' ' B' ' 1' ' ' ' DA' . . . . . . . . 0 C5'--C4' 1.533 2.73 0 C5'-C4'-O4' 114.003 2.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.516 " H2'" ' C5 ' ' B' ' 4' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.492 -3.555 4 C1'-O4'-C4' 99.538 -7.258 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.516 ' C5 ' " H2'" ' B' ' 3' ' ' ' DT' . . . . . . . . 0 O4'--C1' 1.449 2.194 1 C4'-C3'-C2' 107.217 4.017 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.449 1.379 1 O5'-C5'-C4' 116.588 4.563 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.505 -2.251 2 P-O3'-C3' 126.408 5.59 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 3.446 1 O4'-C1'-C2' 100.429 -5.155 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.448 2.186 3 O4'-C1'-N19 114.989 8.986 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.487 -3.079 6 C1'-O4'-C4' 99.82 -7.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.466 2.717 1 C3'-C2'-C1' 96.829 -4.193 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . 0.511 " H1'" ' O ' ' B' 2869 ' ' HOH . . . . . . . . 0 C5'--C4' 1.529 2.244 1 C1'-O4'-C4' 101.336 -5.974 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.444 1.829 3 C1'-O4'-C4' 101.963 -5.527 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . 0.478 ' H8 ' ' O ' ' C' 2570 ' ' HOH . . . . . . . . 0 C5'--C4' 1.524 1.622 0 C5'-C4'-C3' 109.049 -3.768 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.493 " H5'" ' HA ' ' A' ' 50' ' ' ASN . . . . . . . . 0 C4'--C3' 1.502 -2.597 2 P-O3'-C3' 125.579 4.899 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.526 " H3'" ' HB3' ' A' ' 25' ' ' ASN . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 O4'-C1'-N19 102.199 -7.001 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ' DC' . . . . . 0.509 ' H5 ' ' O ' ' A' ' 55' ' ' HOH . . . . . . . . 0 C5'--C4' 1.531 2.444 1 C1'-O4'-C4' 102.935 -4.832 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . 0.477 ' N6 ' HH22 ' A' ' 22' ' ' ARG . . . . . . . . 0 C3'--C2' 1.493 -2.528 4 C3'-C2'-C1' 95.262 -5.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.5 -2.757 2 C5'-C4'-C3' 106.805 -5.263 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.458 2.054 4 O4'-C1'-N19 103.452 -5.435 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.497 -2.14 2 C5'-C4'-O4' 122.003 7.877 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.607 1.392 2 O5'-C5'-C4' 117.464 5.188 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.532 2.669 1 C1'-O4'-C4' 103.34 -4.543 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 18.6 mmt . . . . . 0 N--CA 1.477 0.898 0 CA-C-O 122.549 1.166 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 33.3 tttm -39.18 109.85 0.56 Allowed Pre-proline 0 N--CA 1.477 0.91 0 C-N-CA 127.466 2.306 . . . . 0.0 109.303 176.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.78 ' HA ' HD12 ' A' ' 48' ' ' ILE . 60.7 Cg_endo -81.03 85.62 1.77 Allowed 'Trans proline' 0 CA--C 1.53 0.287 0 C-N-CA 121.059 1.173 . . . . 0.0 110.619 -172.529 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 39.9 t -79.26 104.62 7.48 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.911 0 CA-C-N 112.188 -2.278 . . . . 0.0 108.366 -176.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . 0.4 ' O ' ' HB2' ' A' ' 8' ' ' ASP . 27.6 p -77.62 167.7 21.17 Favored 'General case' 0 N--CA 1.484 1.259 0 O-C-N 126.004 2.065 . . . . 0.0 110.855 174.787 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.527 HD22 HG12 ' A' ' 20' ' ' VAL . 89.9 mt -49.21 -42.44 40.3 Favored 'General case' 0 N--CA 1.482 1.168 0 N-CA-C 113.383 0.883 . . . . 0.0 113.383 164.121 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -54.77 -38.04 66.73 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 124.039 0.837 . . . . 0.0 112.833 -176.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . 0.4 ' HB2' ' O ' ' A' ' 5' ' ' THR . 37.5 m-20 -66.88 -52.37 44.25 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 128.186 2.594 . . . . 0.0 114.317 -179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.457 HG23 HG11 ' A' ' 20' ' ' VAL . 0.0 OUTLIER -62.63 -40.8 89.78 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.123 0 O-C-N 124.395 1.059 . . . . 0.0 111.629 173.562 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.444 ' HB1' ' O ' ' A' ' 15' ' ' VAL . . . -60.69 -51.65 68.45 Favored 'General case' 0 CA--C 1.552 1.037 0 CA-C-N 114.458 -1.247 . . . . 0.0 112.27 -179.334 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -52.78 -48.62 66.69 Favored 'General case' 0 N--CA 1.487 1.411 0 N-CA-C 114.982 1.475 . . . . 0.0 114.982 174.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 64.3 t80 -66.55 -39.71 88.69 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 126.24 1.816 . . . . 0.0 113.383 176.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -73.88 -41.86 61.57 Favored 'General case' 0 N--CA 1.483 1.193 0 CA-C-N 115.374 -0.83 . . . . 0.0 113.073 -176.403 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.42 30.73 2.36 Favored Glycine 0 CA--C 1.543 1.791 0 C-N-CA 123.625 0.631 . . . . 0.0 114.063 -175.232 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.444 ' O ' ' HB1' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -140.53 161.82 24.11 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 C-N-CA 125.754 1.622 . . . . 0.0 112.628 -174.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.8 p -83.09 147.3 28.19 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 113.293 -1.776 . . . . 0.0 110.033 176.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.01 -29.3 28.54 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 112.91 0.708 . . . . 0.0 112.91 -179.175 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.405 ' O ' ' HB3' ' A' ' 21' ' ' SER . 2.6 tp-100 -57.44 -50.41 73.11 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 114.392 1.256 . . . . 0.0 114.392 174.039 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.401 HG22 HG23 ' A' ' 30' ' ' VAL . 21.1 m -66.29 -47.55 73.25 Favored 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 128.322 2.649 . . . . 0.0 109.473 -175.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG12 HD22 ' A' ' 6' ' ' LEU 0.269 41.5 t -63.71 -32.34 56.54 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.2 0 C-N-CA 124.014 0.926 . . . . 0.0 112.607 171.611 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.405 ' HB3' ' O ' ' A' ' 18' ' ' GLN . 40.0 t -60.73 -53.18 60.53 Favored 'General case' 0 N--CA 1.491 1.615 0 N-CA-C 113.38 0.881 . . . . 0.0 113.38 163.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.49 ' O ' ' HA ' ' A' ' 27' ' ' ALA . 52.4 mtt85 -75.44 13.67 0.72 Allowed 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 117.267 2.321 . . . . 0.0 117.267 173.632 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.479 HG22 HG11 ' A' ' 30' ' ' VAL . 8.6 t -84.56 -39.12 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.126 0 CA-C-N 114.825 -1.079 . . . . 0.0 111.163 155.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 23.1 t -89.93 -63.07 1.44 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.767 0 CA-C-N 113.349 -1.751 . . . . 0.0 110.624 -177.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.526 ' HB3' " H3'" ' C' ' 4' ' ' ' DT' . 19.5 m-20 -134.29 144.19 48.19 Favored 'General case' 0 N--CA 1.473 0.677 0 C-N-CA 125.195 1.398 . . . . 0.0 113.053 -176.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 60.66 37.8 18.95 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 127.521 2.328 . . . . 0.0 110.482 -165.091 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.49 ' HA ' ' O ' ' A' ' 22' ' ' ARG . . . -57.86 112.72 1.57 Allowed 'General case' 0 N--CA 1.468 0.444 0 N-CA-C 116.093 1.886 . . . . 0.0 116.093 -171.301 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 23.0 t -175.28 144.36 0.71 Allowed 'General case' 0 N--CA 1.467 0.392 0 CA-C-N 111.688 -2.506 . . . . 0.0 107.742 -174.307 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.454 ' HB3' " H3'" ' B' ' 3' ' ' ' DT' . 90.3 m-70 59.77 59.01 2.63 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 125.766 1.626 . . . . 0.0 114.956 174.224 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.479 HG11 HG22 ' A' ' 23' ' ' VAL . 8.9 p -136.28 100.37 2.3 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 CA-C-N 112.323 -2.217 . . . . 0.0 109.328 170.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.64 174.01 8.69 Favored 'General case' 0 C--N 1.32 -0.692 0 CA-C-N 110.117 -3.22 . . . . 0.0 109.284 -158.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -48.58 -65.01 0.64 Allowed 'General case' 0 C--N 1.313 -0.99 0 N-CA-C 116.275 1.954 . . . . 0.0 116.275 -161.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 75.8 tttt -73.75 -33.43 64.3 Favored 'General case' 0 N--CA 1.474 0.762 0 O-C-N 123.169 0.293 . . . . 0.0 111.751 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.53 ' O ' HG23 ' A' ' 38' ' ' VAL . 53.0 p -65.83 -43.73 87.67 Favored 'General case' 0 N--CA 1.475 0.798 0 O-C-N 121.861 -0.524 . . . . 0.0 111.691 179.212 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 39.3 ttp180 -64.6 -41.39 96.27 Favored 'General case' 0 N--CA 1.475 0.825 0 C-N-CA 126.05 1.74 . . . . 0.0 113.428 168.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.8 mt-10 -56.9 -39.55 74.61 Favored 'General case' 0 N--CA 1.482 1.173 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 168.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.401 ' HB2' ' O ' ' A' ' 34' ' ' THR . 73.5 mmtt -63.29 -37.09 85.9 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 118.347 -0.835 . . . . 0.0 112.69 174.502 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 34' ' ' THR . 4.4 t -72.14 -36.98 58.24 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.155 0 C-N-CA 123.833 0.853 . . . . 0.0 111.385 177.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -66.06 -34.78 78.86 Favored 'General case' 0 N--CA 1.479 1.025 0 O-C-N 124.927 1.392 . . . . 0.0 112.101 173.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -63.15 -66.79 0.49 Allowed 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 124.594 1.158 . . . . 0.0 110.549 168.096 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -41.01 -55.69 2.47 Favored 'General case' 0 N--CA 1.486 1.333 0 N-CA-C 116.851 2.167 . . . . 0.0 116.851 175.507 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 7.4 mmt -39.56 -31.64 0.1 Allowed 'General case' 0 N--CA 1.487 1.375 0 N-CA-C 114.906 1.446 . . . . 0.0 114.906 171.489 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -94.06 -51.63 4.76 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 124.387 1.054 . . . . 0.0 113.808 174.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -55.91 -31.36 62.8 Favored 'General case' 0 N--CA 1.481 1.112 0 N-CA-C 118.78 2.881 . . . . 0.0 118.78 175.332 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 36.5 mt -119.15 145.21 46.18 Favored 'General case' 0 N--CA 1.48 1.055 0 N-CA-C 107.535 -1.283 . . . . 0.0 107.535 160.444 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 5.9 p30 -97.51 79.81 2.78 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-O 123.41 1.576 . . . . 0.0 112.129 178.319 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.472 ' O ' ' HD3' ' A' ' 49' ' ' PRO . 40.3 t80 -48.98 132.7 18.64 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 110.734 -2.939 . . . . 0.0 115.284 179.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.78 HD12 ' HA ' ' A' ' 3' ' ' PRO . 54.9 mt -110.09 101.85 48.93 Favored Pre-proline 0 CA--C 1.549 0.912 0 CA-C-N 111.735 -2.484 . . . . 0.0 108.279 178.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . 0.472 ' HD3' ' O ' ' A' ' 47' ' ' TYR . 22.0 Cg_exo -53.57 116.12 2.77 Favored 'Trans proline' 0 N--CA 1.477 0.501 0 C-N-CA 124.484 3.456 . . . . 0.0 113.821 172.434 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.493 ' HA ' " H5'" ' C' ' 3' ' ' ' DC' 0.29 31.3 m120 91.14 -15.91 0.2 Allowed 'General case' 0 N--CA 1.482 1.128 0 C-N-CA 127.603 2.361 . . . . 0.0 115.663 178.647 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 18.4 mmm180 . . . . . 0 C--O 1.252 1.217 0 CA-C-O 115.342 -2.266 . . . . 0.0 113.631 177.116 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 835' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1026 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1417 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1632 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 1924 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2488 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2504 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2561 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2639 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 2869 ' ' HOH . . . . . 0.511 ' O ' " H1'" ' B' ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B 3293 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 1041 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 1830 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 1959 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 1993 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 2518 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C 2570 ' ' HOH . . . . . 0.478 ' O ' ' H8 ' ' C' ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HOH . . . . . 0.509 ' O ' ' H5 ' ' C' ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.454 1.745 3 O4'-C1'-N19 112.843 6.303 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . 0.441 ' H8 ' ' O ' ' B' 3303 ' ' HOH . . . . . . . . 0 O3'--C3' 1.459 2.162 1 C1'-O4'-C4' 100.569 -6.522 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . 0.452 " H3'" ' HB3' ' A' ' 29' ' ' HIS . . . . . . . . 0 C5'--C4' 1.532 2.591 5 C5'-C4'-O4' 123.232 8.645 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.819 2 P-O3'-C3' 126.266 5.472 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.481 ' H1 ' ' H42' ' C' ' 7' ' ' ' DC' . . . . . . . . 0 O4'--C4' 1.427 -1.719 1 C5'-C4'-O4' 116.677 4.548 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.508 -2.022 1 C5'-C4'-C3' 107.029 -5.114 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.506 -2.218 1 O4'-C1'-N19 111.263 4.328 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.527 2.019 1 C3'-C2'-C1' 97.02 -4.057 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.452 2.44 1 C2'-C3'-O3' 122.616 4.45 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.456 ' H6 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 P--O5' 1.608 1.514 0 O4'-C4'-C3' 109.264 3.664 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.535 3.007 3 O4'-C1'-N19 113.183 6.729 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.683 " H2'" ' O ' ' C' 1958 ' ' HOH . . . . . . . . 0 C3'--C2' 1.489 -2.85 1 C1'-O4'-C4' 103.393 -4.505 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.43 -1.477 1 C1'-O4'-C4' 102.143 -5.398 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.523 ' H6 ' ' O ' ' C' 2471 ' ' HOH . . . . . . . . 0 O4'--C1' 1.441 1.603 3 P-O3'-C3' 126.579 5.732 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.431 H2'' HE22 ' A' ' 26' ' ' GLN . . . . . . . . 0 C3'--C2' 1.493 -2.522 1 C3'-C2'-C1' 95.906 -4.853 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ' DC' . . . . . 0.81 ' H6 ' HE22 ' A' ' 26' ' ' GLN . . . . . . . . 0 C4'--C3' 1.507 -2.052 1 C1'-O4'-C4' 103.978 -4.087 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.502 -2.607 2 C1'-O4'-C4' 103.754 -4.247 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . 0.481 ' H42' ' H1 ' ' B' ' 5' ' ' ' DG' . . . . . . . . 0 C5'--C4' 1.535 3.044 2 C5'-C4'-O4' 119.501 6.313 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.818 4 O5'-C5'-C4' 119.706 6.79 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.531 2.534 2 P-O3'-C3' 125.863 5.136 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . 0.422 H2'' " O4'" ' C' ' 11' ' ' ' DT' . . . . . . . . 0 C2'--C1' 1.494 -1.915 2 C1'-O4'-C4' 100.415 -6.632 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . 0.422 " O4'" H2'' ' C' ' 10' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.504 -2.437 1 C1'-O4'-C4' 100.989 -6.222 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 86.3 mmm . . . . . 0 N--CA 1.48 1.067 0 N-CA-C 114.918 1.451 . . . . 0.0 114.918 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.3 tttt -68.93 111.32 8.03 Favored Pre-proline 0 CA--C 1.548 0.888 0 C-N-CA 127.187 2.195 . . . . 0.0 110.967 -174.749 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 91.6 Cg_endo -77.98 158.49 30.79 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 121.689 1.593 . . . . 0.0 112.52 -173.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . . . . . . . . . 48.6 t -120.07 110.8 30.06 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.811 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.634 176.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 77.2 p -77.87 171.96 14.19 Favored 'General case' 0 N--CA 1.483 1.195 0 O-C-N 128.617 3.698 . . . . 0.0 110.411 178.001 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.715 HD22 HG12 ' A' ' 20' ' ' VAL . 87.3 mt -56.84 -42.26 79.35 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-O 118.902 -0.57 . . . . 0.0 112.013 166.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 62.9 m-85 -55.32 -49.84 71.14 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 124.168 0.987 . . . . 0.0 110.399 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -53.16 -59.59 4.36 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-N 115.067 -0.969 . . . . 0.0 113.075 177.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.443 HG23 HG11 ' A' ' 20' ' ' VAL . 0.5 OUTLIER -63.8 -35.58 73.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 N-CA-C 113.817 1.043 . . . . 0.0 113.817 -177.9 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.521 ' HA ' HG23 ' A' ' 15' ' ' VAL . . . -60.73 -46.58 89.89 Favored 'General case' 0 N--CA 1.476 0.828 0 CA-C-N 112.585 -2.098 . . . . 0.0 113.378 174.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.76 -50.19 74.46 Favored 'General case' 0 N--CA 1.482 1.148 0 CA-C-O 118.489 -0.767 . . . . 0.0 111.41 172.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -63.69 -33.55 75.88 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 113.2 0.815 . . . . 0.0 113.2 -176.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.462 ' HB3' HG22 ' A' ' 15' ' ' VAL . . . -76.68 -27.16 55.46 Favored 'General case' 0 N--CA 1.481 1.092 0 N-CA-C 115.241 1.571 . . . . 0.0 115.241 171.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 78.81 69.15 1.42 Allowed Glycine 0 N--CA 1.482 1.704 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 -168.594 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 10' ' ' ALA . 0.0 OUTLIER -157.74 166.19 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.923 0 C-N-CA 127.733 2.413 . . . . 0.0 111.596 -178.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 20.0 t -82.52 156.73 23.86 Favored 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 113.815 -1.539 . . . . 0.0 109.296 167.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -66.16 -24.97 66.75 Favored 'General case' 0 CA--C 1.535 0.393 0 C-N-CA 126.375 1.87 . . . . 0.0 111.33 171.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.796 ' HG3' ' O ' ' A' ' 53' ' ' HOH . 7.2 tp-100 -68.63 -53.93 19.54 Favored 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 109.601 -0.518 . . . . 0.0 109.601 173.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.9 m -46.38 -45.62 17.91 Favored 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 125.481 1.512 . . . . 0.0 113.594 170.636 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.715 HG12 HD22 ' A' ' 6' ' ' LEU 0.279 41.7 t -72.06 -43.77 66.69 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.233 0 N-CA-C 114.361 1.245 . . . . 0.0 114.361 176.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 43.9 t -47.42 -52.1 17.96 Favored 'General case' 0 N--CA 1.487 1.419 0 C-N-CA 123.883 0.873 . . . . 0.0 112.356 163.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.447 ' HD2' ' O ' ' A' ' 53' ' ' HOH . 73.4 mtt180 -80.5 26.74 0.37 Allowed 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 117.95 2.574 . . . . 0.0 117.95 172.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 38' ' ' VAL . 2.0 t -112.54 -43.87 4.76 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 N-CA-C 105.228 -2.138 . . . . 0.0 105.228 162.523 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 79.1 t -64.71 -68.6 0.29 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.814 0 C-N-CA 125.376 1.471 . . . . 0.0 111.466 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 25.8 m-20 -130.87 153.31 49.27 Favored 'General case' 0 N--CA 1.475 0.81 0 N-CA-C 116.094 1.887 . . . . 0.0 116.094 -175.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.81 HE22 ' H6 ' ' C' ' 5' ' ' ' DC' . 13.8 tt0 51.0 37.29 17.34 Favored 'General case' 0 N--CA 1.482 1.173 0 CA-C-O 124.168 1.937 . . . . 0.0 111.015 179.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -59.59 126.58 28.18 Favored 'General case' 0 N--CA 1.469 0.487 0 C-N-CA 125.988 1.715 . . . . 0.0 114.023 -173.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.1 p -162.36 154.54 19.02 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 109.749 -3.387 . . . . 0.0 110.019 173.078 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . 0.452 ' HB3' " H3'" ' B' ' 3' ' ' ' DT' . 71.9 m-70 66.5 69.75 0.41 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 115.207 1.558 . . . . 0.0 115.207 172.008 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.4 p -154.49 118.26 0.48 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.112 0 CA-C-N 111.165 -2.743 . . . . 0.0 111.962 -174.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 4.5 m -107.58 169.67 8.45 Favored 'General case' 0 N--CA 1.476 0.857 0 CA-C-N 112.513 -2.13 . . . . 0.0 110.147 -168.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -39.61 -50.9 2.26 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-N 112.823 -1.99 . . . . 0.0 116.102 179.417 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 32.4 tptt -69.04 -60.72 2.16 Favored 'General case' 0 N--CA 1.482 1.139 0 C-N-CA 123.504 0.722 . . . . 0.0 112.133 -174.678 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . . . . . . . . . 11.4 p -52.59 -39.54 61.72 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.127 1.528 . . . . 0.0 115.127 174.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 25.5 ttp180 -57.42 -50.24 73.65 Favored 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 123.3 0.64 . . . . 0.0 111.82 178.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 20.6 tt0 -54.71 -48.04 72.98 Favored 'General case' 0 N--CA 1.48 1.058 0 O-C-N 124.05 0.844 . . . . 0.0 112.411 173.411 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . . . . . . . . . 74.9 mmtt -56.04 -52.36 64.52 Favored 'General case' 0 N--CA 1.483 1.214 0 C-N-CA 125.481 1.513 . . . . 0.0 114.644 178.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.648 HG11 HG11 ' A' ' 23' ' ' VAL . 23.7 t -57.25 -46.52 85.03 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.758 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.735 176.348 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 27.1 mt-10 -61.49 -44.48 97.01 Favored 'General case' 0 N--CA 1.477 0.901 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 175.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -50.68 -50.07 55.74 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 123.753 0.821 . . . . 0.0 111.224 172.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -71.19 -38.54 72.09 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 116.881 2.178 . . . . 0.0 116.881 177.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 21.8 mmt -54.73 -50.44 68.36 Favored 'General case' 0 N--CA 1.481 1.079 0 N-CA-C 112.508 0.559 . . . . 0.0 112.508 175.128 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -71.83 -40.28 69.21 Favored 'General case' 0 N--CA 1.48 1.047 0 N-CA-C 115.621 1.712 . . . . 0.0 115.621 178.756 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -63.74 -33.29 75.33 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 116.214 1.931 . . . . 0.0 116.214 175.145 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 85.1 mt -113.68 152.18 30.81 Favored 'General case' 0 N--CA 1.471 0.579 0 CA-C-N 120.147 1.34 . . . . 0.0 111.681 -179.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 13.8 p30 -82.06 38.34 0.53 Allowed 'General case' 0 CA--C 1.545 0.781 0 N-CA-C 114.525 1.305 . . . . 0.0 114.525 -170.535 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . . . . . . . . . 77.2 t80 -41.54 133.84 2.51 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.373 1.469 . . . . 0.0 112.767 177.047 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.59 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 2.9 mp -128.95 128.02 23.4 Favored Pre-proline 0 N--CA 1.473 0.72 0 N-CA-C 103.868 -2.642 . . . . 0.0 103.868 -176.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -58.27 124.11 15.16 Favored 'Trans proline' 0 CA--C 1.534 0.481 0 N-CA-C 107.374 -1.818 . . . . 0.0 107.374 175.141 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 16.6 m120 74.8 22.34 1.95 Allowed 'General case' 0 N--CA 1.482 1.146 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 176.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.59 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 19.0 mmm180 . . . . . 0 C--O 1.249 1.032 0 CA-C-O 115.635 -2.126 . . . . 0.0 112.558 173.232 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1032 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1619 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 1904 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2484 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2496 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2514 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 2963 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B 3303 ' ' HOH . . . . . 0.441 ' O ' ' H8 ' ' B' ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 317' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 327' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 328' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 827' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 845' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 923' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 952' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 1002 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 1419 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 1771 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 1817 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 1958 ' ' HOH . . . . . 0.683 ' O ' " H2'" ' C' ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C 1961 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 2011 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C 2471 ' ' HOH . . . . . 0.523 ' O ' ' H6 ' ' C' ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' HOH . . . . . 0.796 ' O ' ' HG3' ' A' ' 18' ' ' GLN . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' HOH . . . . . 0.449 ' O ' ' H8 ' ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.526 1.888 3 C1'-O4'-C4' 100.13 -6.835 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.534 2.836 0 C4'-C3'-O3' 118.554 3.752 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.529 2.277 1 C4'-C3'-C2' 99.134 -4.066 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.496 " H3'" ' HB2' ' A' ' 16' ' ' SER . . . . . . . . 0 P--O5' 1.618 2.543 1 P-O3'-C3' 125.109 4.508 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ' DG' . . . . . 0.472 ' H8 ' ' O ' ' A' ' 75' ' ' HOH . . . . . . . . 0 C4'--C3' 1.503 -2.534 1 C5'-C4'-O4' 118.723 5.827 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 C4'--C3' 1.512 -1.578 3 P-O3'-C3' 125.394 4.745 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.549 1.979 3 C3'-C2'-C1' 92.513 -7.276 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O5'-C5'-C4' 117.639 5.313 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 3.682 0 O5'-C5'-C4' 115.799 3.999 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ' DC' . . . . . 0.426 ' H6 ' " H2'" ' B' ' 10' ' ' ' DC' . . . . . . . . 0 C3'--C2' 1.492 -2.585 2 O4'-C1'-N19 102.847 -6.191 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.439 1.458 2 C1'-O4'-C4' 101.725 -5.697 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ' DC' . . . . . 0.591 " H2'" ' O ' ' C' 1817 ' ' HOH . . . . . . . . 0 C3'--C2' 1.49 -2.823 0 O5'-C5'-C4' 115.275 3.625 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.452 1.621 1 C1'-O4'-C4' 103.195 -4.646 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ' DC' . . . . . 0.408 " H5'" ' O ' ' A' ' 53' ' ' HOH . . . . . . . . 0 O4'--C4' 1.428 -1.607 1 O4'-C1'-C2' 101.259 -4.401 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' ' DT' . . . . . 0.718 " H2'" ' O ' ' A' ' 60' ' ' HOH . . . . . . . . 0 O4'--C1' 1.452 2.443 1 P-O3'-C3' 125.424 4.77 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.492 -2.636 0 N19-C1'-C2' 108.073 -3.829 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.449 2.231 0 P-O3'-C3' 123.78 3.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.454 2.594 0 C5'-C4'-O4' 115.502 3.814 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.848 3 O4'-C1'-N19 100.865 -8.669 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 O4'--C1' 1.457 2.882 1 P-O3'-C3' 125.702 5.001 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.611 1.765 2 P-O3'-C3' 125.335 4.696 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.433 -1.213 0 O4'-C1'-N19 104.646 -3.942 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.5 mmm . . . . . 0 N--CA 1.479 0.982 0 CA-C-O 122.634 1.206 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 2.8 ttpt -136.33 111.14 9.89 Favored Pre-proline 0 CA--C 1.541 0.629 0 CA-C-N 114.737 -1.12 . . . . 0.0 111.406 -170.454 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . 0.498 ' HB3' ' HB3' ' A' ' 51' ' ' ARG . 87.0 Cg_exo -47.99 113.12 0.7 Allowed 'Trans proline' 0 N--CA 1.477 0.541 0 C-N-CA 122.63 2.22 . . . . 0.0 111.258 171.147 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' VAL . . . . . 0.47 HG11 ' HB3' ' A' ' 45' ' ' LEU . 9.4 t -74.97 101.94 2.17 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.955 0 CA-C-N 112.542 -2.117 . . . . 0.0 111.59 -178.221 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' THR . . . . . . . . . . . . . 67.9 p -85.88 169.74 13.03 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-N 111.767 -2.469 . . . . 0.0 111.531 176.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.523 HD21 HG21 ' A' ' 24' ' ' VAL . 16.8 mt -56.61 -40.47 75.37 Favored 'General case' 0 N--CA 1.479 0.999 0 C-N-CA 122.754 0.421 . . . . 0.0 111.952 172.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' TYR . . . . . . . . . . . . . 88.7 m-85 -51.38 -51.06 57.95 Favored 'General case' 0 N--CA 1.476 0.85 0 N-CA-C 115.389 1.626 . . . . 0.0 115.389 169.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -58.8 -52.86 63.93 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.033 0.933 . . . . 0.0 110.476 -175.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -63.14 -37.0 78.23 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.744 0 N-CA-C 114.688 1.366 . . . . 0.0 114.688 174.53 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ALA . . . . . 0.434 ' HA ' HG21 ' A' ' 20' ' ' VAL . . . -58.14 -65.91 0.57 Allowed 'General case' 0 CA--C 1.546 0.789 0 CA-C-N 115.028 -0.987 . . . . 0.0 112.728 169.309 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -34.87 -57.81 0.53 Allowed 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 126.848 2.059 . . . . 0.0 113.948 170.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 40.9 t80 -60.6 -48.77 80.32 Favored 'General case' 0 N--CA 1.474 0.762 0 N-CA-C 115.012 1.486 . . . . 0.0 115.012 -176.048 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 41' ' ' ALA . . . -77.47 -6.01 51.97 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-N 114.34 -1.3 . . . . 0.0 112.335 179.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 65.48 49.5 60.23 Favored Glycine 0 CA--C 1.532 1.141 0 C-N-CA 125.557 1.551 . . . . 0.0 110.945 176.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.783 HG21 HG22 ' A' ' 38' ' ' VAL . 4.6 m -145.88 153.84 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 O-C-N 126.411 1.889 . . . . 0.0 108.549 -169.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . 0.496 ' HB2' " H3'" ' B' ' 4' ' ' ' DT' . 30.3 t -70.94 139.15 50.58 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 113.878 -1.51 . . . . 0.0 112.787 -173.07 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' TYR . . . . . . . . . . . . . 6.2 t80 -22.99 -50.84 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 110.612 -2.994 . . . . 0.0 114.139 158.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLN . . . . . 0.57 ' O ' ' HG2' ' A' ' 22' ' ' ARG . 1.6 mp0 -74.5 -43.27 56.73 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 127.72 2.408 . . . . 0.0 116.626 175.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 4.4 m -57.73 -35.3 70.5 Favored 'General case' 0 N--CA 1.486 1.348 0 C-N-CA 123.961 0.904 . . . . 0.0 109.826 172.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' VAL . . . . . 0.527 HG22 ' CG1' ' A' ' 38' ' ' VAL . 66.1 t -83.34 -43.99 18.43 Favored 'Isoleucine or valine' 0 CA--C 1.551 1.004 0 CA-C-N 113.881 -1.509 . . . . 0.0 111.782 179.574 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.461 ' HB3' ' HA ' ' A' ' 18' ' ' GLN . 42.1 t -52.35 -35.68 51.76 Favored 'General case' 0 N--CA 1.489 1.503 0 N-CA-C 115.295 1.591 . . . . 0.0 115.295 163.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.575 ' HB3' ' HA ' ' A' ' 27' ' ' ALA . 14.8 mmp_? -65.92 -44.58 84.75 Favored 'General case' 0 N--CA 1.491 1.597 0 CA-C-N 119.578 1.081 . . . . 0.0 111.93 175.771 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' VAL . . . . . 0.497 ' HB ' ' O ' ' A' ' 20' ' ' VAL . 25.3 t -49.13 -33.73 6.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.33 0 CA-C-N 113.64 -1.618 . . . . 0.0 111.709 169.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.523 HG21 HD21 ' A' ' 6' ' ' LEU . 85.4 t -84.61 -48.74 16.49 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.713 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.79 176.191 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 30.7 m-80 -159.81 152.31 21.15 Favored 'General case' 0 N--CA 1.467 0.414 0 N-CA-C 114.82 1.415 . . . . 0.0 114.82 -179.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLN . . . . . 0.509 ' HB3' HH21 ' A' ' 22' ' ' ARG . 22.3 tt0 62.98 39.67 10.04 Favored 'General case' 0 N--CA 1.483 1.219 0 CA-C-N 113.417 -1.719 . . . . 0.0 109.561 176.024 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.575 ' HA ' ' HB3' ' A' ' 22' ' ' ARG . . . -55.1 130.44 41.93 Favored 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 114.909 1.448 . . . . 0.0 114.909 -176.474 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 78.7 p -173.11 147.83 1.63 Allowed 'General case' 0 N--CA 1.486 1.343 0 C-N-CA 128.425 2.69 . . . . 0.0 109.85 -178.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' HIS . . . . . . . . . . . . . 53.4 m-70 59.78 72.4 0.53 Allowed 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 114.303 1.223 . . . . 0.0 114.303 178.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.453 HG22 ' HB2' ' A' ' 35' ' ' ARG . 7.4 p -146.64 117.26 1.58 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 CA-C-N 112.276 -2.238 . . . . 0.0 111.742 -172.49 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 18.9 m -86.85 156.36 19.9 Favored 'General case' 0 N--CA 1.48 1.033 0 CA-C-N 110.366 -3.106 . . . . 0.0 110.784 178.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . 0.618 ' HA ' ' NH2' ' A' ' 35' ' ' ARG . . . -51.75 -56.57 13.07 Favored 'General case' 0 N--CA 1.48 1.072 0 CA-C-N 113.708 -1.587 . . . . 0.0 114.716 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.578 ' O ' ' HB3' ' A' ' 36' ' ' GLU . 17.6 tptp -57.3 -53.81 53.87 Favored 'General case' 0 N--CA 1.475 0.781 0 O-C-N 124.704 1.252 . . . . 0.0 109.734 -177.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' THR . . . . . 0.485 ' O ' ' HB2' ' A' ' 37' ' ' LYS . 41.7 p -61.78 -44.06 97.63 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 115.927 1.825 . . . . 0.0 115.927 -177.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.618 ' NH2' ' HA ' ' A' ' 32' ' ' ALA . 29.4 ttp180 -58.14 -38.21 76.12 Favored 'General case' 0 CA--C 1.545 0.788 0 N-CA-C 112.632 0.604 . . . . 0.0 112.632 174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.578 ' HB3' ' O ' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -56.43 -48.59 76.67 Favored 'General case' 0 N--CA 1.477 0.903 0 N-CA-C 113.508 0.929 . . . . 0.0 113.508 165.365 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LYS . . . . . 0.573 ' HB3' ' HB1' ' A' ' 13' ' ' ALA . 37.4 mmtt -55.74 -52.61 63.34 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 123.64 0.776 . . . . 0.0 112.937 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . 0.783 HG22 HG21 ' A' ' 15' ' ' VAL . 6.6 t -65.97 -36.38 77.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-N 113.803 -1.544 . . . . 0.0 112.063 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 50.8 mt-10 -62.84 -45.01 94.57 Favored 'General case' 0 N--CA 1.479 0.986 0 N-CA-C 112.522 0.564 . . . . 0.0 112.522 172.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -64.55 -36.07 83.03 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 123.726 0.81 . . . . 0.0 111.902 174.02 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.799 ' HB2' ' HB2' ' A' ' 13' ' ' ALA . . . -61.91 -53.17 59.44 Favored 'General case' 0 N--CA 1.483 1.188 0 C-N-CA 125.055 1.342 . . . . 0.0 112.73 173.501 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . . . . . . . . . 15.8 mmt -51.16 -28.49 11.23 Favored 'General case' 0 N--CA 1.48 1.065 0 O-C-N 125.216 1.572 . . . . 0.0 114.254 171.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -84.79 -65.17 1.04 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.112 -178.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -53.51 -35.27 60.48 Favored 'General case' 0 N--CA 1.481 1.101 0 N-CA-C 114.698 1.37 . . . . 0.0 114.698 174.361 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.47 ' HB3' HG11 ' A' ' 4' ' ' VAL . 87.8 mt -109.83 91.87 3.82 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 114.783 -1.099 . . . . 0.0 108.364 166.095 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.3 p30 -19.68 -36.46 0.0 OUTLIER 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 119.865 3.283 . . . . 0.0 119.865 166.62 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' TYR . . . . . 0.427 ' HA ' ' HB ' ' A' ' 4' ' ' VAL . 40.5 t80 53.23 124.9 0.0 OUTLIER 'General case' 0 N--CA 1.488 1.468 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 -176.383 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.609 ' HB ' ' HB2' ' A' ' 51' ' ' ARG . 1.3 mp -123.64 111.64 29.49 Favored Pre-proline 0 N--CA 1.471 0.579 0 CA-C-N 112.922 -1.944 . . . . 0.0 109.344 179.381 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_exo -57.83 128.71 30.09 Favored 'Trans proline' 0 C--N 1.348 0.509 0 C-N-CA 122.706 2.271 . . . . 0.0 109.881 175.415 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 71.12 11.55 6.9 Favored 'General case' 0 N--CA 1.481 1.099 0 C-N-CA 127.932 2.493 . . . . 0.0 113.634 178.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.609 ' HB2' ' HB ' ' A' ' 48' ' ' ILE . 20.8 mmm-85 . . . . . 0 N--CA 1.475 0.788 0 CA-C-N 112.443 -2.162 . . . . 0.0 112.652 158.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 52' ' ' ' NA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 853' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 902' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 965' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 1584 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 2184 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 2490 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 2582 ' ' HOH . . . . . 0.417 ' O ' ' HA ' ' A' ' 16' ' ' SER . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B 2691 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 3222 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B 3303 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 223' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 703' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 895' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C 1046 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C 1817 ' ' HOH . . . . . 0.591 ' O ' " H2'" ' C' ' 1' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C 2471 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C 2520 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C 2570 ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' HOH . . . . . 0.408 ' O ' " H5'" ' C' ' 3' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' HOH . . . . . 0.718 ' O ' " H2'" ' C' ' 4' ' ' ' DT' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' HOH . . . . . 0.472 ' O ' ' H8 ' ' B' ' 5' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HOH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_