data_2gkd_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 2gkd _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' ASN . . . . . . . . . . . . . 26.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.954 -0.387 . . . . 2.11 109.954 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 64.4 13.84 8.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.829 1.252 . . . . 5.55 111.662 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASP . . . . . 0.647 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 34.4 t70 -119.06 -47.28 0.04 OUTLIER Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.246 -0.888 . . . . 3.31 108.952 169.496 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PRO . . . . . 0.647 ' HD3' ' HB3' ' A' ' 3' ' ' ASP . 29.6 Cg_endo -96.56 -46.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.084 1.856 . . . . 2.14 113.32 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -153.22 160.93 42.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.6 -0.889 . . . . 3.79 108.6 179.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . 0.524 ' HB ' ' HB2' ' A' ' 119' ' ' ASP . 13.6 p -103.6 123.97 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.274 -0.57 . . . . 2.1 110.87 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.739 ' HA ' ' O ' ' A' ' 113' ' ' VAL . 6.2 ttm180 -128.86 141.29 51.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.327 -0.851 . . . . 3.87 110.733 172.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.785 ' CB ' ' HB ' ' A' ' 113' ' ' VAL . 19.8 t-160 -109.68 139.88 44.2 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 114.749 -1.114 . . . . 2.39 108.286 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -138.81 111.15 7.45 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.388 0.613 . . . . 2.27 110.712 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.634 ' HB ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 t -144.81 134.15 18.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.269 -0.878 . . . . 1.77 110.005 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.5 m -111.92 116.22 30.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.202 0.525 . . . . 1.11 110.325 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.433 HG13 HG23 ' A' ' 148' ' ' ILE . 3.6 t -100.57 135.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.871 -0.604 . . . . 1.55 111.221 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.491 ' HG3' ' OD1' ' A' ' 149' ' ' ASP . 24.8 mmtp -95.24 6.49 48.89 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.777 0.658 . . . . 3.18 112.777 -169.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . 0.608 ' O ' ' HA ' ' A' ' 107' ' ' LYS . . . -114.71 -41.73 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.678 0.992 . . . . 1.2 113.678 -170.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . 0.524 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 4.0 p-10 141.65 165.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.195 0.998 . . . . 1.94 109.815 -165.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.486 ' HG3' ' HB3' ' A' ' 101' ' ' PHE . 13.8 ttp180 -72.66 -29.86 63.79 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.501 0.556 . . . . 3.11 112.501 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . 0.436 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -71.79 -43.05 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.862 -0.422 . . . . 3.63 109.862 -177.439 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.8 m -63.54 -38.78 92.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.456 -0.338 . . . . 1.5 110.356 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ALA . . . . . . . . . . . . . . . -60.43 -52.47 65.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.395 -0.366 . . . . 1.09 110.512 176.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.72 -45.56 93.76 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.27 -0.423 . . . . 0.48 111.167 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -55.57 -52.75 62.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 3.15 110.332 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -61.87 -46.98 87.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.853 -0.612 . . . . 1.17 110.847 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -65.39 -41.04 94.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.786 0.661 . . . . 0.83 112.786 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.443 HD11 HG23 ' A' ' 46' ' ' VAL . 7.4 tp -115.09 -15.64 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.185 0.809 . . . . 1.15 113.185 -169.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' HG2' ' NZ ' ' A' ' 48' ' ' LYS . 7.3 mt-10 -120.62 -32.02 4.14 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.259 -0.576 . . . . 1.34 111.491 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.477 ' O ' ' HG2' ' A' ' 29' ' ' GLU . . . -89.23 22.93 20.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.628 -0.715 . . . . 0.83 112.789 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PHE . . . . . 0.449 ' HA ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 t80 -46.49 -55.31 14.56 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 116.8 0.3 . . . . 2.56 110.313 177.708 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.432 ' HD2' ' N ' ' A' ' 27' ' ' PHE . 28.5 Cg_endo -62.7 -16.52 53.57 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.201 1.934 . . . . 1.17 114.598 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.477 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 9.6 pt-20 -99.64 7.33 45.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.602 0.593 . . . . 1.21 112.602 -171.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TRP . . . . . 0.585 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 1.2 m0 -90.78 -171.33 2.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.262 -1.014 . . . . 4.36 108.262 170.688 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TRP . . . . . 0.749 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -142.0 21.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.19 0 N-CA-C 115.082 1.512 . . . . 4.87 115.082 173.33 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.903 ' HG3' ' HB2' ' A' ' 143' ' ' SER . 9.4 Cg_endo -95.52 -41.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.411 2.074 . . . . 1.65 113.853 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.508 ' H ' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -125.57 -47.07 1.72 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.319 0.581 . . . . 1.74 110.127 -175.659 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASN . . . . . 0.585 ' OD1' ' HB2' ' A' ' 30' ' ' TRP . 4.6 p-10 -70.95 14.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.522 -1.217 . . . . 2.34 111.803 -176.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.44 ' H ' ' C ' ' A' ' 33' ' ' ASN . 15.9 t80 -74.51 46.77 0.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.342 0.592 . . . . 5.35 111.45 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.644 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -146.05 -178.06 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 4.48 110.826 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.8 p -134.89 136.41 42.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.665 -0.494 . . . . 2.41 109.665 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.61 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 78.5 p 52.3 39.08 26.53 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.984 1.373 . . . . 1.59 108.95 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LYS . . . . . 0.894 ' HD3' ' H ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -146.02 -146.37 0.19 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 112.526 -2.125 . . . . 3.94 106.997 -173.264 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . 0.894 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 2.4 p -81.54 98.0 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.31 -2.108 . . . . 2.43 105.31 161.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.56 88.29 0.84 Allowed Glycine 0 N--CA 1.433 -1.526 0 N-CA-C 110.961 -0.856 . . . . 1.79 110.961 -161.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . 0.621 ' HB2' ' H ' ' A' ' 56' ' ' ILE . . . -157.9 169.67 10.22 Favored Pre-proline 0 C--N 1.313 -1.001 0 N-CA-C 110.221 -0.289 . . . . 1.32 110.221 176.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . . . . . . . . . 16.7 Cg_exo -69.4 66.69 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.714 2.276 . . . . 1.21 113.586 -178.273 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.77 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 2.48 110.675 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.601 ' HA2' ' HG2' ' A' ' 55' ' ' GLU . . . 97.61 -53.8 1.27 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 116.038 -0.528 . . . . 0.87 112.515 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.619 ' HA ' ' HA ' ' A' ' 53' ' ' TRP . 21.3 t -143.84 151.03 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.964 -0.384 . . . . 1.5 109.964 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.548 ' HB3' ' HG3' ' A' ' 52' ' ' ARG . 14.6 t70 -98.78 124.63 43.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.221 -0.659 . . . . 1.39 109.221 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.42 ' NZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mmpp? -79.19 -45.09 20.58 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.444 0.465 . . . . 2.95 112.128 -174.36 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 19.7 ptmt -73.72 -16.71 61.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.496 0.554 . . . . 2.98 112.496 -170.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.3 3.0 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 119.881 -1.152 . . . . 1.04 113.256 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.69 71.09 1.28 Allowed Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.339 -0.934 . . . . 0.73 111.22 -179.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ARG . . . . . 0.687 ' HB2' ' HE1' ' A' ' 54' ' ' TYR . 12.6 ptt180 -159.54 131.22 6.24 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.083 -0.34 . . . . 4.71 110.083 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TRP . . . . . 0.619 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 9.9 m95 -87.14 117.68 26.05 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.149 -0.344 . . . . 2.13 111.192 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . 0.687 ' HE1' ' HB2' ' A' ' 52' ' ' ARG . 93.4 m-85 -149.88 154.05 37.7 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 122.465 0.306 . . . . 2.56 110.502 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLU . . . . . 0.601 ' HG2' ' HA2' ' A' ' 45' ' ' GLY . 34.2 mt-10 -128.38 170.51 13.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.81 -0.756 . . . . 2.4 110.42 175.123 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ILE . . . . . 0.621 ' H ' ' HB2' ' A' ' 42' ' ' ALA . 31.1 mm -89.32 101.23 11.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.075 0.464 . . . . 1.57 111.569 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -74.47 163.26 27.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.14 109.519 168.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.65 -26.99 66.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.696 0.284 . . . . 1.73 110.682 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 -3.31 43.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 1.94 110.827 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.53 -113.57 0.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.506 -0.854 . . . . 1.2 112.504 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.72 119.14 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.602 -0.352 . . . . 1.72 110.358 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.667 ' HG3' ' HA ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -76.15 -172.79 2.16 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 109.313 -0.625 . . . . 2.12 109.313 172.779 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . 0.53 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.9 p80 -31.41 133.6 0.08 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 116.461 2.023 . . . . 3.26 116.461 -159.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.545 ' HA ' ' O ' ' A' ' 53' ' ' TRP . 4.6 t -78.31 124.65 28.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.493 -1.23 . . . . 2.55 108.654 164.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' HD2' ' CE3' ' A' ' 53' ' ' TRP . 12.9 t80 -119.41 12.43 12.44 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.387 . . . . 7.51 111.683 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 144.08 3.95 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.558 -1.306 . . . . 1.21 113.899 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.505 HD23 HH11 ' A' ' 82' ' ' ARG . 0.5 OUTLIER -104.84 99.05 8.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.796 -0.816 . . . . 1.7 108.796 173.423 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 79' ' ' ILE . 57.2 mt -76.54 132.68 32.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.624 0.726 . . . . 1.29 111.225 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -97.88 -25.01 15.16 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.725 -1.125 . . . . 2.7 109.621 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.416 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 13.9 ttmm -153.17 115.69 4.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.42 -0.809 . . . . 1.71 109.933 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.456 HG21 HG23 ' A' ' 68' ' ' ILE . 2.7 t -109.42 80.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 108.13 -1.063 . . . . 1.56 108.13 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASP . . . . . 0.467 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -101.64 63.5 0.95 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.821 -0.352 . . . . 1.3 111.604 -169.286 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.465 ' HB2' ' HD2' ' A' ' 74' ' ' PRO . 11.4 pt-20 48.27 -170.39 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 O-C-N 124.448 1.093 . . . . 1.12 112.047 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PRO . . . . . 0.465 ' HD2' ' HB2' ' A' ' 73' ' ' GLU . 40.9 Cg_exo -60.36 84.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.71 1.607 . . . . 0.76 111.224 166.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.467 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 14.8 t70 -172.86 -70.0 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.274 -0.876 . . . . 1.12 109.637 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.98 143.87 32.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.169 0.803 . . . . 1.09 113.169 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' O ' ' HB ' ' A' ' 99' ' ' VAL . 4.3 mp -138.41 107.83 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 1.52 109.854 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.416 ' HB ' ' HB3' ' A' ' 70' ' ' LYS . 44.8 t -95.3 115.77 35.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.472 -0.936 . . . . 1.56 108.472 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.544 ' HA ' ' HA ' ' A' ' 68' ' ' ILE . 0.9 OUTLIER -127.53 157.71 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.728 -0.389 . . . . 1.58 111.318 -175.108 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.485 ' HA3' ' HG ' ' A' ' 67' ' ' LEU . . . -110.27 170.36 14.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.746 -0.661 . . . . 0.59 112.691 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' TRP . . . . . 0.976 ' HB2' ' HB2' ' A' ' 95' ' ' SER . 56.4 t-105 -64.67 139.22 58.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.134 1.161 . . . . 5.52 114.134 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.552 ' HD2' ' O ' ' A' ' 81' ' ' TRP . 0.0 OUTLIER -177.78 149.58 0.6 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.477 -1.675 . . . . 7.16 106.477 171.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LEU . . . . . 0.582 ' CD2' ' HB2' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -138.86 -159.99 1.01 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.41 0.522 . . . . 2.35 112.41 -169.287 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASN . . . . . 0.555 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 93.6 m-20 -95.16 157.88 15.7 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 122.132 -0.355 . . . . 2.41 110.79 -168.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.47 70.34 0.88 Allowed Glycine 0 C--N 1.331 0.266 0 N-CA-C 111.338 -0.705 . . . . 3.74 111.338 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -130.87 -152.54 0.51 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.337 -0.986 . . . . 7.13 108.337 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.701 ' HA3' ' OP2' ' B' ' 7' ' ' ' DG' . . . -87.59 56.12 4.45 Favored Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 110.27 -1.132 . . . . 3.75 110.27 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ARG . . . . . 0.582 ' HB2' ' CD2' ' A' ' 83' ' ' LEU . 0.0 OUTLIER -96.02 172.37 8.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 114.059 1.133 . . . . 7.77 114.059 -166.634 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ILE . . . . . 0.441 HD13 ' O ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.48 153.83 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.684 -1.144 . . . . 2.54 109.364 170.033 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.441 ' O ' HD13 ' A' ' 89' ' ' ILE . 3.6 p-10 -77.34 168.38 28.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 110.254 -0.276 . . . . 3.98 110.254 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' PRO . . . . . 0.544 ' HA ' ' HD1' ' A' ' 81' ' ' TRP . 27.1 Cg_exo -67.41 41.57 0.2 Allowed 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.31 2.673 . . . . 4.42 113.673 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.3 -1.39 15.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.735 0.779 . . . . 3.16 110.494 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASN . . . . . 0.643 ' HB3' ' SD ' ' A' ' 121' ' ' MET . 4.0 m-80 -102.82 -33.57 9.31 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.457 -0.792 . . . . 3.75 110.905 -170.726 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -48.44 0.54 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.455 0.702 . . . . 1.57 111.076 -169.006 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.976 ' HB2' ' HB2' ' A' ' 81' ' ' TRP . 27.8 m 29.33 87.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.585 1.154 . . . . 2.1 113.016 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -106.24 149.2 27.1 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 107.198 -1.408 . . . . 1.73 107.198 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PHE . . . . . 0.695 ' HA ' ' HB2' ' A' ' 115' ' ' HIS . 9.9 p90 -156.82 143.43 18.39 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.406 -0.518 . . . . 0.69 112.169 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 10.3 m -88.08 108.17 19.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.482 -0.781 . . . . 1.1 110.021 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.477 ' HB ' ' O ' ' A' ' 77' ' ' LEU . 78.8 t -82.54 108.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.167 -0.679 . . . . 1.12 109.167 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.577 ' O ' ' HA ' ' A' ' 111' ' ' VAL . 5.9 m -103.87 106.09 16.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.786 -0.643 . . . . 1.09 111.046 -175.39 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' PHE . . . . . 0.487 ' CD1' ' HB ' ' A' ' 111' ' ' VAL . 46.4 m-85 -91.48 115.08 27.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.052 -0.351 . . . . 0.71 110.052 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.41 ' O ' ' HA ' ' A' ' 109' ' ' THR . 59.7 t -98.51 113.89 34.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.391 -0.368 . . . . 1.21 110.096 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.88 29.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 1.32 111.082 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASP . . . . . 0.721 ' HB3' ' HB3' ' A' ' 108' ' ' LYS . 43.3 t0 -122.07 111.05 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 2.23 110.236 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.08 11.8 33.87 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.078 -0.51 . . . . 1.65 113.042 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 58.09 19.6 6.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.455 0.702 . . . . 6.61 111.688 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . 0.608 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 20.8 ptmt -142.4 14.17 1.99 Allowed 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.655 0.74 . . . . 4.39 109.866 173.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.721 ' HB3' ' HB3' ' A' ' 104' ' ' ASP . 2.5 ttmp? -147.85 153.34 39.01 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.514 -1.291 . . . . 2.35 107.514 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' THR . . . . . 0.41 ' HA ' ' O ' ' A' ' 102' ' ' VAL . 30.2 m -154.04 116.9 4.45 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.574 0.702 . . . . 1.11 111.173 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -96.95 117.0 30.17 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.732 -1.122 . . . . 2.94 109.34 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.634 ' CG1' ' HB ' ' A' ' 10' ' ' VAL . 12.6 p -97.89 132.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.995 0.426 . . . . 1.41 110.213 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . 0.675 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.8 p30 -127.68 125.67 40.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.517 -0.765 . . . . 2.17 109.685 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.785 ' HB ' ' CB ' ' A' ' 8' ' ' HIS . 1.3 t -91.29 134.55 29.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.79 -0.641 . . . . 1.19 109.784 173.274 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -131.82 115.94 16.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.586 1.179 . . . . 2.33 109.662 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' HIS . . . . . 0.695 ' HB2' ' HA ' ' A' ' 97' ' ' PHE . 38.7 t-80 -155.68 157.28 36.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.763 -0.653 . . . . 3.82 109.971 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' THR . . . . . . . . . . . . . 15.7 m -157.42 94.67 1.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.142 0.276 . . . . 2.68 110.718 -177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -175.12 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 4.48 109.973 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' PHE . . . . . 0.508 ' HB3' ' O ' ' A' ' 93' ' ' ASN . 26.3 m-85 -85.18 -30.38 23.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 5.99 109.931 -177.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ASP . . . . . 0.524 ' HB2' ' HB ' ' A' ' 6' ' ' VAL . 2.4 p-10 -67.01 -29.16 68.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.266 -1.334 . . . . 3.36 111.947 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 5.0 ttp180 -59.36 -11.57 4.47 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.862 0.865 . . . . 4.44 112.03 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' MET . . . . . 0.643 ' SD ' ' HB3' ' A' ' 93' ' ' ASN . 27.0 ptt? -60.9 4.56 0.07 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.941 1.296 . . . . 4.19 113.963 -171.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . 0.555 ' HA3' ' HA ' ' A' ' 3' ' ' ASP . . . -43.99 164.16 0.04 OUTLIER Glycine 0 CA--C 1.516 0.111 0 O-C-N 123.49 0.494 . . . . 2.52 114.17 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' THR . . . . . . . . . . . . . 24.8 m 82.37 -93.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.619 0.768 . . . . 2.97 109.943 -171.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.434 ' HB2' ' P ' ' C' ' 18' ' ' ' DT' . 9.8 ptpp? -74.45 -50.14 19.54 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 118.823 0.738 . . . . 3.95 111.578 -174.346 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' HIS . . . . . 0.651 ' HD2' ' HD3' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -72.99 -29.99 63.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.442 -0.577 . . . . 3.37 109.442 -172.755 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' ALA . . . . . . . . . . . . . . . -78.44 -26.77 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.506 -0.77 . . . . 1.55 111.292 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.8 mttm -68.79 -40.85 79.39 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 120.986 -0.285 . . . . 3.91 111.124 175.562 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.651 ' HD3' ' HD2' ' A' ' 125' ' ' HIS . 6.5 ptm180 -72.27 -25.91 61.79 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.125 -0.63 . . . . 2.74 110.586 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 12.9 t -64.13 -34.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.248 0.546 . . . . 1.69 110.76 170.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ARG . . . . . 0.594 ' CG ' " H4'" ' B' ' 8' ' ' ' DA' . 21.3 tpp180 -60.93 -15.29 29.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.396 -0.82 . . . . 4.87 112.269 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.452 ' HA ' " H5'" ' B' ' 8' ' ' ' DA' . 97.3 m-20 -50.61 -55.46 16.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.438 0.533 . . . . 2.92 112.438 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -142.81 -10.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 119.77 -1.205 . . . . 1.65 113.749 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' MET . . . . . 0.501 ' HG2' ' CH2' ' A' ' 81' ' ' TRP . 12.6 tpt -79.34 -28.64 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.012 0.406 . . . . 4.91 110.353 -176.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.7 -24.49 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 2.13 111.067 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -101.83 26.08 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 4.27 110.771 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' GLY . . . . . 0.453 ' O ' ' HB ' ' A' ' 139' ' ' THR . . . -139.14 -82.28 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.658 -1.258 . . . . 1.05 113.729 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' TRP . . . . . 0.501 ' N ' ' HD2' ' A' ' 138' ' ' PRO . 33.6 t90 -64.64 -44.71 74.81 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.293 0.849 . . . . 4.39 113.293 -170.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.501 ' HD2' ' N ' ' A' ' 137' ' ' TRP . 13.8 Cg_endo -57.17 -33.92 96.8 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.86 1.707 . . . . 1.09 111.389 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' THR . . . . . 0.453 ' HB ' ' O ' ' A' ' 136' ' ' GLY . 84.5 m -71.37 -39.24 71.38 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.21 -0.905 . . . . 1.36 109.442 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ILE . . . . . 0.689 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 66.8 mt -54.75 -48.42 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.864 -1.062 . . . . 1.32 110.649 176.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.61 -29.31 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.377 0.423 . . . . 1.22 111.99 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -71.98 -52.54 16.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.906 -0.405 . . . . 1.59 109.906 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' SER . . . . . 0.903 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . 35.9 m -70.88 -23.79 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.78 110.948 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -58.24 -54.2 49.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.303 0.641 . . . . 0.71 110.149 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -66.52 -33.05 74.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.734 -0.666 . . . . 1.66 111.145 179.676 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ASP . . . . . 0.519 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 34.1 t70 -76.44 -47.63 22.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.792 -0.363 . . . . 1.46 111.488 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' LYS . . . . . 0.414 ' HD3' ' O ' ' A' ' 147' ' ' LYS . 1.7 tmtp? -53.93 -46.89 71.65 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.525 -0.546 . . . . 3.72 109.525 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.433 HG23 HG13 ' A' ' 12' ' ' VAL . 52.3 mt -67.67 -32.59 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 1.15 111.502 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ASP . . . . . 0.491 ' OD1' ' HG3' ' A' ' 13' ' ' LYS . 32.4 t70 -59.43 -32.85 70.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.603 0.716 . . . . 0.71 109.865 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLU . . . . . 0.519 ' HG3' ' O ' ' A' ' 146' ' ' ASP . 21.0 mt-10 -80.03 -17.81 51.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.223 -0.899 . . . . 1.59 111.111 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' GLU . . . . . 0.414 ' HG2' ' O ' ' A' ' 147' ' ' LYS . 7.8 mm-40 -75.19 -21.91 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.334 0.494 . . . . 2.34 112.334 -176.297 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -170.52 53.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.835 -1.174 . . . . 1.21 113.376 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -172.56 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.971 0.415 . . . . 1.49 110.539 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' LYS . . . . . 0.446 ' HB3' ' HA ' ' A' ' 150' ' ' GLU . 30.3 ttmt -91.52 -64.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 1.82 111.559 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' LYS . . . . . 0.446 ' H ' ' HA ' ' A' ' 150' ' ' GLU . 15.1 ttpp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.633 -0.699 . . . . 2.8 111.273 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.55 2.072 0 N19-C1'-C2' 118.192 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ' DC' . . . . . 0.415 H2'' " O5'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.316 0 C3'-C2'-C1' 106.482 2.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' ' DA' . . . . . 0.421 H2'' " O5'" ' B' ' 4' ' ' ' DT' . . . . . . . . 0 C4'--C3' 1.541 1.31 0 OP1-P-O3' 99.208 -2.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' ' DT' . . . . . 0.421 " O5'" H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.849 0 O4'-C4'-C3' 102.098 -3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ' DA' . . . . . 0.526 H2'' " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.47 2.966 3 OP1-P-O3' 131.318 7.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' ' DT' . . . . . 0.526 " O5'" H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.463 2.441 0 P-O3'-C3' 122.705 2.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ' DG' . . . . . 0.701 ' OP2' ' HA3' ' A' ' 87' ' ' GLY . . . . . . . . 0 P--O3' 1.629 1.797 0 P-O3'-C3' 122.532 2.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ' DA' . . . . . 0.594 " H4'" ' CG ' ' A' ' 130' ' ' ARG . . . . . . . . 0 C4'--C3' 1.54 1.154 0 C3'-C2'-C1' 105.719 2.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' ' DT' . . . . . 0.645 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.622 1.277 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ' DA' . . . . . 0.645 " O5'" H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.372 -4.564 0 O4'-C1'-C2' 109.804 3.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.543 -5.361 0 C5'-C4'-C3' 120.528 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.852 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' ' DT' . . . . . 0.504 H2'' " O5'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 P--O3' 1.636 2.451 0 N19-C1'-C2' 118.182 2.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' ' DA' . . . . . 0.734 H2'' " O5'" ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.378 -3.875 1 C2'-C3'-O3' 121.516 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' ' DT' . . . . . 0.734 " O5'" H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.543 1.501 1 OP1-P-O3' 122.096 4.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.526 0.834 0 N19-C1'-C2' 119.214 3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.451 0 N19-C1'-C2' 110.242 -2.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' ' DT' . . . . . 0.622 H5'' ' HD2' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.537 1.863 0 C5'-C4'-C3' 118.961 2.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' ' DA' . . . . . 0.511 ' OP1' ' NH1' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.531 1.322 0 O4'-C1'-C2' 103.758 -2.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ' DT' . . . . . 0.553 H2'' " O5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.602 0 C5'-C4'-O4' 106.559 -1.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ' DG' . . . . . 0.689 H2'' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.462 2.366 0 C4'-C3'-O3' 114.897 2.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' ' DC' . . . . . 0.689 " O5'" H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 P--O3' 1.629 1.857 0 P-O3'-C3' 122.777 2.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 26.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.954 -0.387 . . . . 1.79 109.954 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 64.4 13.84 8.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.829 1.252 . . . . 5.2999999999999998 111.662 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASP . . . . . 0.718 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 34.4 t70 -119.06 -47.28 0.04 OUTLIER Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.246 -0.888 . . . . 3.3100000000000001 108.952 169.496 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 3' ' ' ASP . 29.6 Cg_endo -96.56 -46.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.084 1.856 . . . . 1.8500000000000001 113.32 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 1' ' ' ASN . 41.4 p90 -153.22 160.93 42.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.6 -0.889 . . . . 3.02 108.6 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 119' ' ' ASP . 13.6 p -103.6 123.97 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.274 -0.57 . . . . 1.54 110.87 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.762 ' HA ' ' O ' ' A' ' 113' ' ' VAL . 6.2 ttm180 -128.86 141.29 51.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.327 -0.851 . . . . 3.3399999999999999 110.733 172.566 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.876 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 19.8 t-160 -109.68 139.88 44.2 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 114.749 -1.114 . . . . 1.6299999999999999 108.286 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -138.81 111.15 7.45 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.388 0.613 . . . . 1.77 110.712 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.686 ' HB ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 t -144.81 134.15 18.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.269 -0.878 . . . . 1.1899999999999999 110.005 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.5 m -111.92 116.22 30.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.202 0.525 . . . . 0.59999999999999998 110.325 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.858 HG13 HG21 ' A' ' 148' ' ' ILE . 3.6 t -100.57 135.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.871 -0.604 . . . . 0.93000000000000005 111.221 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG3' ' OD1' ' A' ' 149' ' ' ASP . 24.8 mmtp -95.24 6.49 48.89 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.777 0.658 . . . . 2.77 112.777 -169.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 107' ' ' LYS . . . -114.71 -41.73 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.678 0.992 . . . . 0.64000000000000001 113.678 -170.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 4.0 p-10 141.65 165.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.195 0.998 . . . . 1.9399999999999999 109.815 -165.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HG3' ' HB3' ' A' ' 101' ' ' PHE . 13.8 ttp180 -72.66 -29.86 63.79 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.501 0.556 . . . . 2.6600000000000001 112.501 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -71.79 -43.05 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.862 -0.422 . . . . 3.1800000000000002 109.862 -177.439 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.8 m -63.54 -38.78 92.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.456 -0.338 . . . . 1.27 110.356 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 12' ' ' VAL . . . -60.43 -52.47 65.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.34000000000000002 110.512 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.72 -45.56 93.76 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.27 -0.423 . . . . 0.40999999999999998 111.167 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -55.57 -52.75 62.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 2.7200000000000002 110.332 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -61.87 -46.98 87.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.853 -0.612 . . . . 0.57999999999999996 110.847 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -65.39 -41.04 94.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.786 0.661 . . . . 0.68999999999999995 112.786 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 46' ' ' VAL . 7.4 tp -115.09 -15.64 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.185 0.809 . . . . 0.5 113.185 -169.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' HG2' ' NZ ' ' A' ' 48' ' ' LYS . 7.3 mt-10 -120.62 -32.02 4.14 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.259 -0.576 . . . . 1.3400000000000001 111.491 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' GLU . . . -89.23 22.93 20.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.628 -0.715 . . . . 0.60999999999999999 112.789 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 t80 -46.49 -55.31 14.56 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 116.8 0.3 . . . . 1.96 110.313 177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 27' ' ' PHE . 28.5 Cg_endo -62.7 -16.52 53.57 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.201 1.934 . . . . 1.1699999999999999 114.598 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 9.6 pt-20 -99.64 7.33 45.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.602 0.593 . . . . 1.21 112.602 -171.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 1.2 m0 -90.78 -171.33 2.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.262 -1.014 . . . . 3.54 108.262 170.688 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TRP . . . . . 0.812 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -142.0 21.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.19 0 N-CA-C 115.082 1.512 . . . . 4.0199999999999996 115.082 173.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.982 ' HG3' ' HB2' ' A' ' 143' ' ' SER . 9.4 Cg_endo -95.52 -41.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.411 2.074 . . . . 1.6499999999999999 113.853 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' H ' ' HD2' ' A' ' 32' ' ' PRO . 25.4 t-20 -125.57 -47.07 1.72 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.319 0.581 . . . . 1.74 110.127 -175.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASN . . . . . 0.598 ' OD1' ' HB2' ' A' ' 30' ' ' TRP . 4.6 p-10 -70.95 14.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.522 -1.217 . . . . 2.3399999999999999 111.803 -176.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 33' ' ' ASN . 15.9 t80 -74.51 46.77 0.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.342 0.592 . . . . 4.5499999999999998 111.45 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.757 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -146.05 -178.06 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 3.8999999999999999 110.826 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.8 p -134.89 136.41 42.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.665 -0.494 . . . . 1.96 109.665 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 78.5 p 52.3 39.08 26.53 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.984 1.373 . . . . 1.46 108.95 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LYS . . . . . 0.919 ' HD3' ' H ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -146.02 -146.37 0.19 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 112.526 -2.125 . . . . 3.4300000000000002 106.997 -173.264 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.919 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 2.4 p -81.54 98.0 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.31 -2.108 . . . . 1.76 105.31 161.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.56 88.29 0.84 Allowed Glycine 0 N--CA 1.433 -1.526 0 N-CA-C 110.961 -0.856 . . . . 1.79 110.961 -161.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' HB3' ' A' ' 55' ' ' GLU . . . -157.9 169.67 10.22 Favored Pre-proline 0 C--N 1.313 -1.001 0 N-CA-C 110.221 -0.289 . . . . 0.95999999999999996 110.221 176.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 56' ' ' ILE . 16.7 Cg_exo -69.4 66.69 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.714 2.276 . . . . 1.1599999999999999 113.586 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.77 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 2.0099999999999998 110.675 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.711 ' HA2' ' HG2' ' A' ' 55' ' ' GLU . . . 97.61 -53.8 1.27 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 116.038 -0.528 . . . . 0.68999999999999995 112.515 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' HA ' ' HA ' ' A' ' 53' ' ' TRP . 21.3 t -143.84 151.03 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.964 -0.384 . . . . 0.81999999999999995 109.964 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.677 ' HB3' ' HG3' ' A' ' 52' ' ' ARG . 14.6 t70 -98.78 124.63 43.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.221 -0.659 . . . . 1.3899999999999999 109.221 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mmpp? -79.19 -45.09 20.58 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.444 0.465 . . . . 2.4700000000000002 112.128 -174.36 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 19.7 ptmt -73.72 -16.71 61.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.496 0.554 . . . . 2.6099999999999999 112.496 -170.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.3 3.0 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 119.881 -1.152 . . . . 1.01 113.256 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.424 ' HA2' HD12 ' A' ' 68' ' ' ILE . . . 79.69 71.09 1.28 Allowed Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.339 -0.934 . . . . 0.62 111.22 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HB2' ' HE1' ' A' ' 54' ' ' TYR . 12.6 ptt180 -159.54 131.22 6.24 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.083 -0.34 . . . . 4.0899999999999999 110.083 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TRP . . . . . 0.673 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 9.9 m95 -87.14 117.68 26.05 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.149 -0.344 . . . . 1.8200000000000001 111.192 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.763 ' HE1' ' HB2' ' A' ' 52' ' ' ARG . 93.4 m-85 -149.88 154.05 37.7 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 122.465 0.306 . . . . 2.29 110.502 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLU . . . . . 0.969 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.2 mt-10 -128.38 170.51 13.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.81 -0.756 . . . . 2.3999999999999999 110.42 175.123 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 38' ' ' THR . 31.1 mm -89.32 101.23 11.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.075 0.464 . . . . 0.93000000000000005 111.569 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 62' ' ' GLU . 12.0 t70 -74.47 163.26 27.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.1399999999999999 109.519 168.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.65 -26.99 66.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.696 0.284 . . . . 1.73 110.682 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -96.48 -3.31 43.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 1.9399999999999999 110.827 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.53 -113.57 0.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.506 -0.854 . . . . 1.1399999999999999 112.504 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.72 119.14 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.602 -0.352 . . . . 1.72 110.358 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -76.15 -172.79 2.16 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 109.313 -0.625 . . . . 2.1200000000000001 109.313 172.779 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.9 p80 -31.41 133.6 0.08 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 116.461 2.023 . . . . 2.8399999999999999 116.461 -159.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.66 HG23 ' HG2' ' A' ' 82' ' ' ARG . 4.6 t -78.31 124.65 28.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.493 -1.23 . . . . 2.3199999999999998 108.654 164.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' HD2' ' CE3' ' A' ' 53' ' ' TRP . 12.9 t80 -119.41 12.43 12.44 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.387 . . . . 6.5899999999999999 111.683 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 144.08 3.95 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.558 -1.306 . . . . 1.21 113.899 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HH11 ' A' ' 82' ' ' ARG . 0.5 OUTLIER -104.84 99.05 8.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.796 -0.816 . . . . 1.0900000000000001 108.796 173.423 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 71' ' ' VAL . 57.2 mt -76.54 132.68 32.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.624 0.726 . . . . 0.63 111.225 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -97.88 -25.01 15.16 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.725 -1.125 . . . . 2.1600000000000001 109.621 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 13.9 ttmm -153.17 115.69 4.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.42 -0.809 . . . . 1.2 109.933 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.703 HG22 HG21 ' A' ' 68' ' ' ILE . 2.7 t -109.42 80.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 108.13 -1.063 . . . . 0.87 108.13 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -101.64 63.5 0.95 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.821 -0.352 . . . . 1.3 111.604 -169.286 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HB2' ' HD2' ' A' ' 74' ' ' PRO . 11.4 pt-20 48.27 -170.39 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 O-C-N 124.448 1.093 . . . . 1.1200000000000001 112.047 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 73' ' ' GLU . 40.9 Cg_exo -60.36 84.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.71 1.607 . . . . 0.76000000000000001 111.224 166.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 14.8 t70 -172.86 -70.0 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.274 -0.876 . . . . 1.1200000000000001 109.637 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.98 143.87 32.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.169 0.803 . . . . 0.41999999999999998 113.169 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 99' ' ' VAL . 4.3 mp -138.41 107.83 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 0.88 109.854 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 HG23 ' A' ' 98' ' ' THR . 44.8 t -95.3 115.77 35.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.472 -0.936 . . . . 0.85999999999999999 108.472 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 68' ' ' ILE . 0.9 OUTLIER -127.53 157.71 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.728 -0.389 . . . . 0.96999999999999997 111.318 -175.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA3' ' HG ' ' A' ' 67' ' ' LEU . . . -110.27 170.36 14.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.746 -0.661 . . . . 0.58999999999999997 112.691 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' TRP . . . . . 1.077 ' HB2' ' HB2' ' A' ' 95' ' ' SER . 56.4 t-105 -64.67 139.22 58.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.134 1.161 . . . . 4.6699999999999999 114.134 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.686 HH11 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -177.78 149.58 0.6 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.477 -1.675 . . . . 6.3099999999999996 106.477 171.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -138.86 -159.99 1.01 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.41 0.522 . . . . 1.8300000000000001 112.41 -169.287 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASN . . . . . 0.621 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 15.6 m120 -95.16 157.88 15.7 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 122.132 -0.355 . . . . 2.4100000000000001 110.79 -168.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.47 70.34 0.88 Allowed Glycine 0 C--N 1.331 0.266 0 N-CA-C 111.338 -0.705 . . . . 3.6600000000000001 111.338 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -130.87 -152.54 0.51 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.337 -0.986 . . . . 6.3399999999999999 108.337 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . 0.736 ' HA3' ' OP2' ' B' ' 7' ' ' ' DG' . . . -87.59 56.12 4.45 Favored Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 110.27 -1.132 . . . . 3.6200000000000001 110.27 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -96.02 172.37 8.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 114.059 1.133 . . . . 6.9699999999999998 114.059 -166.634 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ILE . . . . . 0.514 HG12 ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.48 153.83 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.684 -1.144 . . . . 1.9299999999999999 109.364 170.033 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 89' ' ' ILE . 3.6 p-10 -77.34 168.38 28.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 110.254 -0.276 . . . . 3.98 110.254 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' PRO . . . . . 0.572 ' HA ' ' HD1' ' A' ' 81' ' ' TRP . 27.1 Cg_exo -67.41 41.57 0.2 Allowed 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.31 2.673 . . . . 3.8100000000000001 113.673 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.3 -1.39 15.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.735 0.779 . . . . 3.1600000000000001 110.494 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASN . . . . . 0.681 ' HB3' ' SD ' ' A' ' 121' ' ' MET . 4.0 m-80 -102.82 -33.57 9.31 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.457 -0.792 . . . . 3.75 110.905 -170.726 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -48.44 0.54 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.455 0.702 . . . . 1.3700000000000001 111.076 -169.006 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . 1.077 ' HB2' ' HB2' ' A' ' 81' ' ' TRP . 27.8 m 29.33 87.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.585 1.154 . . . . 1.55 113.016 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -106.24 149.2 27.1 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 107.198 -1.408 . . . . 1.73 107.198 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PHE . . . . . 0.765 ' HA ' ' HB2' ' A' ' 115' ' ' HIS . 9.9 p90 -156.82 143.43 18.39 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.406 -0.518 . . . . 0.58999999999999997 112.169 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 10.3 m -88.08 108.17 19.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.482 -0.781 . . . . 0.46000000000000002 110.021 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 77' ' ' LEU . 78.8 t -82.54 108.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.167 -0.679 . . . . 0.29999999999999999 109.167 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 111' ' ' VAL . 5.9 m -103.87 106.09 16.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.786 -0.643 . . . . 0.34000000000000002 111.046 -175.39 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' PHE . . . . . 0.537 ' HB3' ' HG3' ' A' ' 16' ' ' ARG . 46.4 m-85 -91.48 115.08 27.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.052 -0.351 . . . . 0.59999999999999998 110.052 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 109' ' ' THR . 59.7 t -98.51 113.89 34.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.391 -0.368 . . . . 0.56000000000000005 110.096 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.88 29.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.66000000000000003 111.082 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASP . . . . . 0.788 ' HB3' ' HB3' ' A' ' 108' ' ' LYS . 43.3 t0 -122.07 111.05 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 2.23 110.236 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.08 11.8 33.87 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.078 -0.51 . . . . 1.5900000000000001 113.042 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 58.09 19.6 6.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.455 0.702 . . . . 5.8300000000000001 111.688 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 20.8 ptmt -142.4 14.17 1.99 Allowed 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.655 0.74 . . . . 3.8500000000000001 109.866 173.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . 0.788 ' HB3' ' HB3' ' A' ' 104' ' ' ASP . 2.5 ttmp? -147.85 153.34 39.01 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.514 -1.291 . . . . 1.8200000000000001 107.514 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' THR . . . . . 0.453 HG21 ' HG3' ' A' ' 16' ' ' ARG . 30.2 m -154.04 116.9 4.45 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.574 0.702 . . . . 0.32000000000000001 111.173 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -96.95 117.0 30.17 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.732 -1.122 . . . . 2.3100000000000001 109.34 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.686 ' CG1' ' HB ' ' A' ' 10' ' ' VAL . 12.6 p -97.89 132.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.995 0.426 . . . . 0.63 110.213 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.8 p30 -127.68 125.67 40.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.517 -0.765 . . . . 2.1699999999999999 109.685 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 8' ' ' HIS . 1.3 t -91.29 134.55 29.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.79 -0.641 . . . . 0.51000000000000001 109.784 173.274 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -131.82 115.94 16.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.586 1.179 . . . . 2.3300000000000001 109.662 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' HIS . . . . . 0.765 ' HB2' ' HA ' ' A' ' 97' ' ' PHE . 38.7 t-80 -155.68 157.28 36.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.763 -0.653 . . . . 3.1000000000000001 109.971 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' THR . . . . . 0.402 ' HA ' ' OD2' ' A' ' 119' ' ' ASP . 15.7 m -157.42 94.67 1.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.142 0.276 . . . . 2.2000000000000002 110.718 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -175.12 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 4.0099999999999998 109.973 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB3' ' O ' ' A' ' 93' ' ' ASN . 26.3 m-85 -85.18 -30.38 23.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.931 -177.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' HB ' ' A' ' 6' ' ' VAL . 2.4 p-10 -67.01 -29.16 68.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.266 -1.334 . . . . 3.3599999999999999 111.947 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 5.0 ttp180 -59.36 -11.57 4.47 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.862 0.865 . . . . 3.8900000000000001 112.03 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' MET . . . . . 0.681 ' SD ' ' HB3' ' A' ' 93' ' ' ASN . 27.0 ptt? -60.9 4.56 0.07 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.941 1.296 . . . . 3.79 113.963 -171.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' A' ' 3' ' ' ASP . . . -43.99 164.16 0.04 OUTLIER Glycine 0 CA--C 1.516 0.111 0 O-C-N 123.49 0.494 . . . . 2.52 114.17 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 24.8 m 82.37 -93.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.619 0.768 . . . . 2.5899999999999999 109.943 -171.283 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 125' ' ' HIS . 9.8 ptpp? -74.45 -50.14 19.54 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 118.823 0.738 . . . . 3.5099999999999998 111.578 -174.346 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' HIS . . . . . 0.712 ' HD2' ' HD3' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -72.99 -29.99 63.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.442 -0.577 . . . . 2.6800000000000002 109.442 -172.755 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' ALA . . . . . 0.537 ' HB2' ' HA2' ' A' ' 122' ' ' GLY . . . -78.44 -26.77 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.506 -0.77 . . . . 1.1000000000000001 111.292 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 123' ' ' THR . 59.8 mttm -68.79 -40.85 79.39 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 120.986 -0.285 . . . . 3.46 111.124 175.562 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.712 ' HD3' ' HD2' ' A' ' 125' ' ' HIS . 6.5 ptm180 -72.27 -25.91 61.79 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.125 -0.63 . . . . 2.3500000000000001 110.586 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.681 HG13 ' HH2' ' A' ' 81' ' ' TRP . 12.9 t -64.13 -34.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.248 0.546 . . . . 1.21 110.76 170.242 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ARG . . . . . 0.606 ' CG ' " H4'" ' B' ' 8' ' ' ' DA' . 21.3 tpp180 -60.93 -15.29 29.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.396 -0.82 . . . . 4.2400000000000002 112.269 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.485 ' HA ' " H5'" ' B' ' 8' ' ' ' DA' . 97.3 m-20 -50.61 -55.46 16.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.438 0.533 . . . . 2.3599999999999999 112.438 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -142.81 -10.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 119.77 -1.205 . . . . 1.3300000000000001 113.749 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' MET . . . . . 0.532 ' HG2' ' CH2' ' A' ' 81' ' ' TRP . 12.6 tpt -79.34 -28.64 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.012 0.406 . . . . 4.4299999999999997 110.353 -176.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.7 -24.49 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 2.1299999999999999 111.067 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -101.83 26.08 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 3.79 110.771 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 139' ' ' THR . . . -139.14 -82.28 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.658 -1.258 . . . . 0.92000000000000004 113.729 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' TRP . . . . . 0.609 ' HA ' HD12 ' A' ' 140' ' ' ILE . 33.6 t90 -64.64 -44.71 74.81 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.293 0.849 . . . . 3.3900000000000001 113.293 -170.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 137' ' ' TRP . 13.8 Cg_endo -57.17 -33.92 96.8 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.86 1.707 . . . . 0.97999999999999998 111.389 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 139' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 136' ' ' GLY . 84.5 m -71.37 -39.24 71.38 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.21 -0.905 . . . . 0.77000000000000002 109.442 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ILE . . . . . 0.788 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 66.8 mt -54.75 -48.42 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.864 -1.062 . . . . 0.70999999999999996 110.649 176.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.61 -29.31 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.377 0.423 . . . . 0.54000000000000004 111.99 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -71.98 -52.54 16.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.906 -0.405 . . . . 1.5 109.906 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' SER . . . . . 0.982 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . 35.9 m -70.88 -23.79 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.47 110.948 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -58.24 -54.2 49.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.303 0.641 . . . . 0.55000000000000004 110.149 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLN . . . . . 0.575 ' CG ' HG13 ' A' ' 10' ' ' VAL . 39.2 mt-30 -66.52 -33.05 74.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.734 -0.666 . . . . 1.6599999999999999 111.145 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 34.1 t70 -76.44 -47.63 22.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.792 -0.363 . . . . 1.46 111.488 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 147' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 147' ' ' LYS . 1.7 tmtp? -53.93 -46.89 71.65 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.525 -0.546 . . . . 3.23 109.525 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.858 HG21 HG13 ' A' ' 12' ' ' VAL . 52.3 mt -67.67 -32.59 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 0.42999999999999999 111.502 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ASP . . . . . 0.52 ' OD1' ' HG3' ' A' ' 13' ' ' LYS . 32.4 t70 -59.43 -32.85 70.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.603 0.716 . . . . 0.70999999999999996 109.865 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 146' ' ' ASP . 21.0 mt-10 -80.03 -17.81 51.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.223 -0.899 . . . . 1.5900000000000001 111.111 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 147' ' ' LYS . 7.8 mm-40 -75.19 -21.91 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.334 0.494 . . . . 2.3399999999999999 112.334 -176.297 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -170.52 53.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.835 -1.174 . . . . 1.1899999999999999 113.376 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -172.56 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.971 0.415 . . . . 1.24 110.539 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 150' ' ' GLU . 30.3 ttmt -91.52 -64.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 1.47 111.559 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' LYS . . . . . 0.553 ' H ' ' HA ' ' A' ' 150' ' ' GLU . 15.1 ttpp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.633 -0.699 . . . . 2.3300000000000001 111.273 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.55 2.072 0 N19-C1'-C2' 118.192 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.316 0 C3'-C2'-C1' 106.482 2.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.541 1.31 0 OP1-P-O3' 99.208 -2.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' ' DT' . . . . . 0.42 " O5'" H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.849 0 O4'-C4'-C3' 102.098 -3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ' DA' . . . . . 0.522 H2'' " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.47 2.966 3 OP1-P-O3' 131.318 7.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 6' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.463 2.441 0 P-O3'-C3' 122.705 2.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ' DG' . . . . . 0.736 ' OP2' ' HA3' ' A' ' 87' ' ' GLY . . . . . . . . 0 P--O3' 1.629 1.797 0 P-O3'-C3' 122.532 2.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ' DA' . . . . . 0.606 " H4'" ' CG ' ' A' ' 130' ' ' ARG . . . . . . . . 0 C4'--C3' 1.54 1.154 0 C3'-C2'-C1' 105.719 2.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' ' DT' . . . . . 0.68 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.622 1.277 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ' DA' . . . . . 0.68 " O5'" H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.372 -4.564 0 O4'-C1'-C2' 109.804 3.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.543 -5.361 0 C5'-C4'-C3' 120.528 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.852 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 13' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 P--O3' 1.636 2.451 0 N19-C1'-C2' 118.182 2.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' ' DA' . . . . . 0.757 H2'' " O5'" ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.378 -3.875 1 C2'-C3'-O3' 121.516 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 15' ' ' ' DT' . . . . . 0.757 " O5'" H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.543 1.501 1 OP1-P-O3' 122.096 4.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.526 0.834 0 N19-C1'-C2' 119.214 3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.451 0 N19-C1'-C2' 110.242 -2.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 18' ' ' ' DT' . . . . . 0.634 H5'' ' HD2' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.537 1.863 0 C5'-C4'-C3' 118.961 2.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 19' ' ' ' DA' . . . . . 0.511 ' OP1' ' NH1' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.531 1.322 0 O4'-C1'-C2' 103.758 -2.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.602 0 C5'-C4'-O4' 106.559 -1.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ' DG' . . . . . 0.675 H2'' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.462 2.366 0 C4'-C3'-O3' 114.897 2.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' ' DC' . . . . . 0.675 " O5'" H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 P--O3' 1.629 1.857 0 P-O3'-C3' 122.777 2.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASN . . . . . 0.423 ' HB2' ' O ' ' A' ' 5' ' ' PHE . 26.0 p-10 . . . . . 0 N--CA 1.485 1.287 0 N-CA-C 109.954 -0.387 . . . . 1.79 109.954 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TYR . . . . . . . . . . . . . 8.1 p90 64.4 13.84 8.37 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.829 1.252 . . . . 5.3 111.662 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASP . . . . . 0.718 ' HB3' ' HD3' ' A' ' 4' ' ' PRO . 34.4 t70 -119.06 -47.28 0.04 OUTLIER Pre-proline 0 C--N 1.315 -0.928 0 CA-C-N 115.246 -0.888 . . . . 3.31 108.952 169.496 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PRO . . . . . 0.718 ' HD3' ' HB3' ' A' ' 3' ' ' ASP . 29.6 Cg_endo -96.56 -46.98 0.02 OUTLIER 'Trans proline' 0 C--N 1.357 0.99 0 C-N-CA 122.084 1.856 . . . . 1.85 113.32 167.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.423 ' O ' ' HB2' ' A' ' 1' ' ' ASN . 41.4 p90 -153.22 160.93 42.88 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 108.6 -0.889 . . . . 3.02 108.6 179.734 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.583 ' HB ' ' HB2' ' A' ' 119' ' ' ASP . 13.6 p -103.6 123.97 57.56 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 C-N-CA 120.274 -0.57 . . . . 1.54 110.87 177.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.762 ' HA ' ' O ' ' A' ' 113' ' ' VAL . 6.2 ttm180 -128.86 141.29 51.34 Favored 'General case' 0 N--CA 1.449 -0.487 0 CA-C-N 115.327 -0.851 . . . . 3.34 110.733 172.566 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.876 ' HB2' ' HB ' ' A' ' 113' ' ' VAL . 19.8 t-160 -109.68 139.88 44.2 Favored 'General case' 0 CA--C 1.504 -0.823 0 CA-C-N 114.749 -1.114 . . . . 1.63 108.286 176.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 45.8 p -138.81 111.15 7.45 Favored 'General case' 0 C--N 1.311 -1.086 0 CA-C-O 121.388 0.613 . . . . 1.77 110.712 176.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.686 ' HB ' ' CG1' ' A' ' 111' ' ' VAL . 2.6 t -144.81 134.15 18.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 115.269 -0.878 . . . . 1.19 110.005 -179.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 18.5 m -111.92 116.22 30.26 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.202 0.525 . . . . 0.6 110.325 179.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.858 HG13 HG21 ' A' ' 148' ' ' ILE . 3.6 t -100.57 135.93 34.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 115.871 -0.604 . . . . 0.93 111.221 -177.516 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . 0.52 ' HG3' ' OD1' ' A' ' 149' ' ' ASP . 24.8 mmtp -95.24 6.49 48.89 Favored 'General case' 0 N--CA 1.465 0.278 0 N-CA-C 112.777 0.658 . . . . 2.77 112.777 -169.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . 0.627 ' O ' ' HA ' ' A' ' 107' ' ' LYS . . . -114.71 -41.73 3.36 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 113.678 0.992 . . . . 0.64 113.678 -170.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.571 ' HB3' ' O ' ' A' ' 14' ' ' ALA . 4.0 p-10 141.65 165.55 0.0 OUTLIER 'General case' 0 N--CA 1.48 1.056 0 C-N-CA 124.195 0.998 . . . . 1.94 109.815 -165.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.537 ' HG3' ' HB3' ' A' ' 101' ' ' PHE . 13.8 ttp180 -72.66 -29.86 63.79 Favored 'General case' 0 N--CA 1.465 0.282 0 N-CA-C 112.501 0.556 . . . . 2.66 112.501 -175.561 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . 0.472 ' HA ' ' HB3' ' A' ' 74' ' ' PRO . 0.0 OUTLIER -71.79 -43.05 66.35 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.862 -0.422 . . . . 3.18 109.862 -177.439 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 95.8 m -63.54 -38.78 92.42 Favored 'General case' 0 N--CA 1.451 -0.391 0 CA-C-N 116.456 -0.338 . . . . 1.27 110.356 174.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ALA . . . . . 0.414 ' HB2' HG11 ' A' ' 12' ' ' VAL . . . -60.43 -52.47 65.06 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.395 -0.366 . . . . 0.34 110.512 176.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -60.72 -45.56 93.76 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 116.27 -0.423 . . . . 0.41 111.167 178.24 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -55.57 -52.75 62.67 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.063 -0.517 . . . . 2.72 110.332 178.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 47.7 m -61.87 -46.98 87.08 Favored 'General case' 0 C--N 1.32 -0.708 0 CA-C-N 115.853 -0.612 . . . . 0.58 110.847 -179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . . . . . . . . . 78.3 t80 -65.39 -41.04 94.12 Favored 'General case' 0 C--N 1.326 -0.449 0 N-CA-C 112.786 0.661 . . . . 0.69 112.786 -172.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.4 HD12 HG21 ' A' ' 46' ' ' VAL . 7.4 tp -115.09 -15.64 11.69 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 113.185 0.809 . . . . 0.5 113.185 -169.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.461 ' HG2' ' NZ ' ' A' ' 48' ' ' LYS . 7.3 mt-10 -120.62 -32.02 4.14 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 120.259 -0.576 . . . . 1.34 111.491 -179.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.551 ' O ' ' HG2' ' A' ' 29' ' ' GLU . . . -89.23 22.93 20.7 Favored Glycine 0 N--CA 1.442 -0.936 0 CA-C-N 115.628 -0.715 . . . . 0.61 112.789 -174.065 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PHE . . . . . 0.47 ' HA ' ' CZ2' ' A' ' 30' ' ' TRP . 2.2 t80 -46.49 -55.31 14.56 Favored Pre-proline 0 N--CA 1.446 -0.658 0 CA-C-N 116.8 0.3 . . . . 1.96 110.313 177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 27' ' ' PHE . 28.5 Cg_endo -62.7 -16.52 53.57 Favored 'Trans proline' 0 C--N 1.353 0.793 0 C-N-CA 122.201 1.934 . . . . 1.17 114.598 -179.471 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.551 ' HG2' ' O ' ' A' ' 26' ' ' GLY . 9.6 pt-20 -99.64 7.33 45.28 Favored 'General case' 0 C--O 1.235 0.331 0 N-CA-C 112.602 0.593 . . . . 1.21 112.602 -171.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TRP . . . . . 0.598 ' HB2' ' OD1' ' A' ' 34' ' ' ASN . 1.2 m0 -90.78 -171.33 2.99 Favored 'General case' 0 C--N 1.327 -0.407 0 N-CA-C 108.262 -1.014 . . . . 3.54 108.262 170.688 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TRP . . . . . 0.812 ' N ' ' HD3' ' A' ' 32' ' ' PRO . 0.3 OUTLIER -142.0 21.19 0.04 OUTLIER Pre-proline 0 CA--C 1.556 1.19 0 N-CA-C 115.082 1.512 . . . . 4.02 115.082 173.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.982 ' HG3' ' HB2' ' A' ' 143' ' ' SER . 9.4 Cg_endo -95.52 -41.18 0.02 OUTLIER 'Trans proline' 0 C--N 1.362 1.276 0 C-N-CA 122.411 2.074 . . . . 1.65 113.853 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.537 ' H ' ' HD2' ' A' ' 32' ' ' PRO . 0.2 OUTLIER -125.57 -47.07 1.72 Allowed 'General case' 0 N--CA 1.469 0.499 0 CA-C-O 121.319 0.581 . . . . 1.74 110.127 -175.659 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASN . . . . . 0.598 ' OD1' ' HB2' ' A' ' 30' ' ' TRP . 4.6 p-10 -70.95 14.92 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 114.522 -1.217 . . . . 2.34 111.803 -176.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.421 ' H ' ' C ' ' A' ' 33' ' ' ASN . 15.9 t80 -74.51 46.77 0.28 Allowed 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.342 0.592 . . . . 4.55 111.45 -175.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.757 ' HA ' ' HE ' ' A' ' 36' ' ' ARG . 1.4 mmp_? -146.05 -178.06 5.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.11 -0.496 . . . . 3.9 110.826 -176.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 13.8 p -134.89 136.41 42.34 Favored 'General case' 0 C--N 1.329 -0.285 0 N-CA-C 109.665 -0.494 . . . . 1.96 109.665 175.211 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.649 ' HA ' ' O ' ' A' ' 56' ' ' ILE . 78.5 p 52.3 39.08 26.53 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-O 122.984 1.373 . . . . 1.46 108.95 -177.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LYS . . . . . 0.919 ' HD3' ' H ' ' A' ' 40' ' ' VAL . 0.1 OUTLIER -146.02 -146.37 0.19 Allowed 'General case' 0 C--N 1.307 -1.265 0 CA-C-N 112.526 -2.125 . . . . 3.43 106.997 -173.264 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.919 ' H ' ' HD3' ' A' ' 39' ' ' LYS . 2.4 p -81.54 98.0 3.95 Favored 'Isoleucine or valine' 0 N--CA 1.43 -1.463 0 N-CA-C 105.31 -2.108 . . . . 1.76 105.31 161.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 123.56 88.29 0.84 Allowed Glycine 0 N--CA 1.433 -1.526 0 N-CA-C 110.961 -0.856 . . . . 1.79 110.961 -161.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.969 ' HB3' ' HB3' ' A' ' 55' ' ' GLU . . . -157.9 169.67 10.22 Favored Pre-proline 0 C--N 1.313 -1.001 0 N-CA-C 110.221 -0.289 . . . . 0.96 110.221 176.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 0.446 ' HD2' ' HB ' ' A' ' 56' ' ' ILE . 16.7 Cg_exo -69.4 66.69 1.56 Allowed 'Trans proline' 0 C--N 1.348 0.518 0 C-N-CA 122.714 2.276 . . . . 1.16 113.586 -178.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.3 tp -174.77 -85.71 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.777 0.322 . . . . 2.01 110.675 172.815 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.711 ' HA2' ' HG2' ' A' ' 55' ' ' GLU . . . 97.61 -53.8 1.27 Allowed Glycine 0 N--CA 1.45 -0.411 0 CA-C-N 116.038 -0.528 . . . . 0.69 112.515 177.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.673 ' HA ' ' HA ' ' A' ' 53' ' ' TRP . 21.3 t -143.84 151.03 16.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 N-CA-C 109.964 -0.384 . . . . 0.82 109.964 -178.683 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.677 ' HB3' ' HG3' ' A' ' 52' ' ' ARG . 14.6 t70 -98.78 124.63 43.77 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.221 -0.659 . . . . 1.39 109.221 176.589 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.461 ' NZ ' ' HG2' ' A' ' 25' ' ' GLU . 3.3 mmpp? -79.19 -45.09 20.58 Favored 'General case' 0 C--N 1.327 -0.393 0 O-C-N 123.444 0.465 . . . . 2.47 112.128 -174.36 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.411 ' HB2' ' HE3' ' A' ' 49' ' ' LYS . 19.7 ptmt -73.72 -16.71 61.18 Favored 'General case' 0 C--N 1.327 -0.409 0 N-CA-C 112.496 0.554 . . . . 2.61 112.496 -170.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . -120.11 -23.3 3.0 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 119.881 -1.152 . . . . 1.01 113.256 178.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.424 ' HA2' HD12 ' A' ' 68' ' ' ILE . . . 79.69 71.09 1.28 Allowed Glycine 0 N--CA 1.44 -1.047 0 C-N-CA 120.339 -0.934 . . . . 0.62 111.22 -179.333 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ARG . . . . . 0.763 ' HB2' ' HE1' ' A' ' 54' ' ' TYR . 12.6 ptt180 -159.54 131.22 6.24 Favored 'General case' 0 C--N 1.319 -0.735 0 N-CA-C 110.083 -0.34 . . . . 4.09 110.083 -176.312 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TRP . . . . . 0.673 ' HA ' ' HA ' ' A' ' 46' ' ' VAL . 9.9 m95 -87.14 117.68 26.05 Favored 'General case' 0 C--N 1.323 -0.551 0 O-C-N 122.149 -0.344 . . . . 1.82 111.192 -173.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.763 ' HE1' ' HB2' ' A' ' 52' ' ' ARG . 93.4 m-85 -149.88 154.05 37.7 Favored 'General case' 0 CA--C 1.507 -0.684 0 C-N-CA 122.465 0.306 . . . . 2.29 110.502 177.53 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLU . . . . . 0.969 ' HB3' ' HB3' ' A' ' 42' ' ' ALA . 34.2 mt-10 -128.38 170.51 13.02 Favored 'General case' 0 C--N 1.319 -0.73 0 C-N-CA 119.81 -0.756 . . . . 2.4 110.42 175.123 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ILE . . . . . 0.649 ' O ' ' HA ' ' A' ' 38' ' ' THR . 31.1 mm -89.32 101.23 11.85 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.812 0 CA-C-O 121.075 0.464 . . . . 0.93 111.569 -173.38 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.404 ' OD2' ' HG2' ' A' ' 62' ' ' GLU . 12.0 t70 -74.47 163.26 27.97 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.515 -0.766 . . . . 1.14 109.519 168.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -67.65 -26.99 66.49 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 120.696 0.284 . . . . 1.73 110.682 178.614 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.48 -3.31 43.55 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.362 -0.381 . . . . 1.94 110.827 179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLY . . . . . . . . . . . . . . . 155.53 -113.57 0.57 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.506 -0.854 . . . . 1.14 112.504 -178.269 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -114.72 119.14 35.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 122.602 -0.352 . . . . 1.72 110.358 178.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.702 ' HG3' ' HA ' ' A' ' 39' ' ' LYS . 0.9 OUTLIER -76.15 -172.79 2.16 Favored 'General case' 0 N--CA 1.436 -1.151 0 N-CA-C 109.313 -0.625 . . . . 2.12 109.313 172.779 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . 0.608 ' H ' ' CD ' ' A' ' 62' ' ' GLU . 1.9 p80 -31.41 133.6 0.08 Allowed 'General case' 0 C--N 1.313 -0.98 0 N-CA-C 116.461 2.023 . . . . 2.84 116.461 -159.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.66 HG23 ' HG2' ' A' ' 82' ' ' ARG . 4.6 t -78.31 124.65 28.33 Favored 'General case' 0 N--CA 1.447 -0.607 0 CA-C-N 114.493 -1.23 . . . . 2.32 108.654 164.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.439 ' HD2' ' CE3' ' A' ' 53' ' ' TRP . 12.9 t80 -119.41 12.43 12.44 Favored 'General case' 0 C--N 1.324 -0.515 0 C-N-CA 120.731 -0.387 . . . . 6.59 111.683 -173.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLY . . . . . . . . . . . . . . . 165.59 144.08 3.95 Favored Glycine 0 N--CA 1.448 -0.526 0 C-N-CA 119.558 -1.306 . . . . 1.21 113.899 175.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.686 HD22 HH11 ' A' ' 82' ' ' ARG . 0.5 OUTLIER -104.84 99.05 8.69 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 108.796 -0.816 . . . . 1.09 108.796 173.423 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.703 HG21 HG22 ' A' ' 71' ' ' VAL . 57.2 mt -76.54 132.68 32.53 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.586 0 CA-C-O 121.624 0.726 . . . . 0.63 111.225 -173.162 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ARG . . . . . . . . . . . . . 12.3 mmm180 -97.88 -25.01 15.16 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.725 -1.125 . . . . 2.16 109.621 -177.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' HB3' ' HB ' ' A' ' 78' ' ' VAL . 13.9 ttmm -153.17 115.69 4.46 Favored 'General case' 0 N--CA 1.451 -0.409 0 CA-C-N 115.42 -0.809 . . . . 1.2 109.933 -175.419 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.703 HG22 HG21 ' A' ' 68' ' ' ILE . 2.7 t -109.42 80.86 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 N-CA-C 108.13 -1.063 . . . . 0.87 108.13 177.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASP . . . . . 0.497 ' O ' ' HB3' ' A' ' 75' ' ' ASP . 0.5 OUTLIER -101.64 63.5 0.95 Allowed 'General case' 0 N--CA 1.456 -0.153 0 C-N-CA 120.821 -0.352 . . . . 1.3 111.604 -169.286 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.574 ' HB2' ' HD2' ' A' ' 74' ' ' PRO . 11.4 pt-20 48.27 -170.39 0.0 OUTLIER Pre-proline 0 N--CA 1.478 0.95 0 O-C-N 124.448 1.093 . . . . 1.12 112.047 174.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PRO . . . . . 0.574 ' HD2' ' HB2' ' A' ' 73' ' ' GLU . 40.9 Cg_exo -60.36 84.12 0.07 OUTLIER 'Trans proline' 0 C--N 1.356 0.941 0 C-N-CA 121.71 1.607 . . . . 0.76 111.224 166.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.497 ' HB3' ' O ' ' A' ' 72' ' ' ASP . 14.8 t70 -172.86 -70.0 0.02 OUTLIER 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.274 -0.876 . . . . 1.12 109.637 -174.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -142.98 143.87 32.1 Favored 'General case' 0 N--CA 1.452 -0.35 0 N-CA-C 113.169 0.803 . . . . 0.42 113.169 -177.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.496 ' O ' ' HB ' ' A' ' 99' ' ' VAL . 4.3 mp -138.41 107.83 6.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.466 -0.788 . . . . 0.88 109.854 177.438 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.547 HG22 HG23 ' A' ' 98' ' ' THR . 44.8 t -95.3 115.77 35.08 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.975 0 N-CA-C 108.472 -0.936 . . . . 0.86 108.472 175.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.568 ' HA ' ' HA ' ' A' ' 68' ' ' ILE . 0.9 OUTLIER -127.53 157.71 39.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.728 -0.389 . . . . 0.97 111.318 -175.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.473 ' HA3' ' HG ' ' A' ' 67' ' ' LEU . . . -110.27 170.36 14.06 Favored Glycine 0 N--CA 1.446 -0.661 0 CA-C-N 115.746 -0.661 . . . . 0.59 112.691 176.179 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' TRP . . . . . 1.077 ' HB2' ' HB2' ' A' ' 95' ' ' SER . 56.4 t-105 -64.67 139.22 58.74 Favored 'General case' 0 C--N 1.323 -0.561 0 N-CA-C 114.134 1.161 . . . . 4.67 114.134 -173.755 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.686 HH11 HD22 ' A' ' 67' ' ' LEU . 0.0 OUTLIER -177.78 149.58 0.6 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 106.477 -1.675 . . . . 6.31 106.477 171.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LEU . . . . . 0.665 HD22 ' HB2' ' A' ' 88' ' ' ARG . 0.3 OUTLIER -138.86 -159.99 1.01 Allowed 'General case' 0 C--N 1.317 -0.81 0 N-CA-C 112.41 0.522 . . . . 1.83 112.41 -169.287 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASN . . . . . 0.621 ' O ' ' HG2' ' A' ' 88' ' ' ARG . 93.6 m-20 -95.16 157.88 15.7 Favored 'General case' 0 CA--C 1.515 -0.368 0 O-C-N 122.132 -0.355 . . . . 2.41 110.79 -168.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . -71.47 70.34 0.88 Allowed Glycine 0 C--N 1.331 0.266 0 N-CA-C 111.338 -0.705 . . . . 3.66 111.338 174.43 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -130.87 -152.54 0.51 Allowed 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 108.337 -0.986 . . . . 6.34 108.337 -175.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . 0.736 ' HA3' ' OP2' ' B' ' 7' ' ' ' DG' . . . -87.59 56.12 4.45 Favored Glycine 0 CA--C 1.509 -0.321 0 N-CA-C 110.27 -1.132 . . . . 3.62 110.27 176.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ARG . . . . . 0.665 ' HB2' HD22 ' A' ' 83' ' ' LEU . 0.0 OUTLIER -96.02 172.37 8.04 Favored 'General case' 0 C--N 1.318 -0.794 0 N-CA-C 114.059 1.133 . . . . 6.97 114.059 -166.634 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ILE . . . . . 0.514 HG12 ' N ' ' A' ' 90' ' ' ASP . 0.0 OUTLIER -93.48 153.83 3.32 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.453 0 CA-C-N 114.684 -1.144 . . . . 1.93 109.364 170.033 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.514 ' N ' HG12 ' A' ' 89' ' ' ILE . 3.6 p-10 -77.34 168.38 28.51 Favored Pre-proline 0 C--N 1.321 -0.632 0 N-CA-C 110.254 -0.276 . . . . 3.98 110.254 -179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' PRO . . . . . 0.572 ' HA ' ' HD1' ' A' ' 81' ' ' TRP . 27.1 Cg_exo -67.41 41.57 0.2 Allowed 'Trans proline' 0 CA--C 1.537 0.63 0 C-N-CA 123.31 2.673 . . . . 3.81 113.673 177.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 31.4 t70 -72.3 -1.39 15.18 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 121.735 0.779 . . . . 3.16 110.494 178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASN . . . . . 0.681 ' HB3' ' SD ' ' A' ' 121' ' ' MET . 4.0 m-80 -102.82 -33.57 9.31 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 115.457 -0.792 . . . . 3.75 110.905 -170.726 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 49.6 m 68.12 -48.44 0.54 Allowed 'General case' 0 N--CA 1.469 0.505 0 C-N-CA 123.455 0.702 . . . . 1.37 111.076 -169.006 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 1.077 ' HB2' ' HB2' ' A' ' 81' ' ' TRP . 27.8 m 29.33 87.25 0.01 OUTLIER 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.585 1.154 . . . . 1.55 113.016 176.423 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 26.3 tt0 -106.24 149.2 27.1 Favored 'General case' 0 N--CA 1.439 -0.994 0 N-CA-C 107.198 -1.408 . . . . 1.73 107.198 -174.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PHE . . . . . 0.765 ' HA ' ' HB2' ' A' ' 115' ' ' HIS . 9.9 p90 -156.82 143.43 18.39 Favored 'General case' 0 C--N 1.321 -0.663 0 C-N-CA 120.406 -0.518 . . . . 0.59 112.169 177.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' THR . . . . . 0.56 ' O ' ' HA ' ' A' ' 113' ' ' VAL . 10.3 m -88.08 108.17 19.11 Favored 'General case' 0 N--CA 1.45 -0.453 0 CA-C-N 115.482 -0.781 . . . . 0.46 110.021 179.185 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' HB ' ' O ' ' A' ' 77' ' ' LEU . 78.8 t -82.54 108.45 15.43 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.495 0 N-CA-C 109.167 -0.679 . . . . 0.3 109.167 177.324 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.585 ' O ' ' HA ' ' A' ' 111' ' ' VAL . 5.9 m -103.87 106.09 16.48 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.786 -0.643 . . . . 0.34 111.046 -175.39 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' PHE . . . . . 0.537 ' HB3' ' HG3' ' A' ' 16' ' ' ARG . 46.4 m-85 -91.48 115.08 27.75 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.052 -0.351 . . . . 0.6 110.052 176.514 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.425 ' O ' ' HA ' ' A' ' 109' ' ' THR . 59.7 t -98.51 113.89 34.53 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-N 116.391 -0.368 . . . . 0.56 110.096 179.535 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ALA . . . . . . . . . . . . . . . -73.62 125.88 29.02 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.138 -0.483 . . . . 0.66 111.082 -178.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASP . . . . . 0.788 ' HB3' ' HB3' ' A' ' 108' ' ' LYS . 43.3 t0 -122.07 111.05 16.54 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.138 -0.483 . . . . 2.23 110.236 -179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 62.08 11.8 33.87 Favored Glycine 0 CA--C 1.522 0.496 0 CA-C-N 116.078 -0.51 . . . . 1.59 113.042 179.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 58.09 19.6 6.17 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 123.455 0.702 . . . . 5.83 111.688 -178.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.627 ' HA ' ' O ' ' A' ' 14' ' ' ALA . 20.8 ptmt -142.4 14.17 1.99 Allowed 'General case' 0 CA--C 1.513 -0.448 0 CA-C-O 121.655 0.74 . . . . 3.85 109.866 173.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . 0.788 ' HB3' ' HB3' ' A' ' 104' ' ' ASP . 2.5 ttmp? -147.85 153.34 39.01 Favored 'General case' 0 C--N 1.309 -1.159 0 N-CA-C 107.514 -1.291 . . . . 1.82 107.514 173.473 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' THR . . . . . 0.453 HG21 ' HG3' ' A' ' 16' ' ' ARG . 30.2 m -154.04 116.9 4.45 Favored 'General case' 0 C--N 1.31 -1.124 0 CA-C-O 121.574 0.702 . . . . 0.32 111.173 176.462 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -96.95 117.0 30.17 Favored 'General case' 0 C--N 1.317 -0.815 0 CA-C-N 114.732 -1.122 . . . . 2.31 109.34 176.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.686 ' CG1' ' HB ' ' A' ' 10' ' ' VAL . 12.6 p -97.89 132.75 42.09 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 120.995 0.426 . . . . 0.63 110.213 178.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . 0.697 ' HA ' ' O ' ' A' ' 8' ' ' HIS . 3.8 p30 -127.68 125.67 40.5 Favored 'General case' 0 N--CA 1.442 -0.844 0 CA-C-N 115.517 -0.765 . . . . 2.17 109.685 173.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.876 ' HB ' ' HB2' ' A' ' 8' ' ' HIS . 1.3 t -91.29 134.55 29.47 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.001 0 CA-C-N 115.79 -0.641 . . . . 0.51 109.784 173.274 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' GLU . . . . . . . . . . . . . 40.4 mm-40 -131.82 115.94 16.59 Favored 'General case' 0 N--CA 1.439 -0.983 0 O-C-N 124.586 1.179 . . . . 2.33 109.662 174.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' HIS . . . . . 0.765 ' HB2' ' HA ' ' A' ' 97' ' ' PHE . 38.7 t-80 -155.68 157.28 36.39 Favored 'General case' 0 C--N 1.319 -0.753 0 CA-C-N 115.763 -0.653 . . . . 3.1 109.971 170.31 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' THR . . . . . 0.402 ' HA ' ' OD2' ' A' ' 119' ' ' ASP . 15.7 m -157.42 94.67 1.4 Allowed 'General case' 0 C--N 1.324 -0.525 0 O-C-N 123.142 0.276 . . . . 2.2 110.718 -177.708 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -175.12 -69.45 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 121.103 0.478 . . . . 4.01 109.973 173.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' PHE . . . . . 0.536 ' HB3' ' O ' ' A' ' 93' ' ' ASN . 26.3 m-85 -85.18 -30.38 23.98 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.56 -0.745 . . . . 5.04 109.931 -177.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ASP . . . . . 0.583 ' HB2' ' HB ' ' A' ' 6' ' ' VAL . 2.4 p-10 -67.01 -29.16 68.91 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 114.266 -1.334 . . . . 3.36 111.947 -179.44 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ARG . . . . . 0.457 ' HG3' ' O ' ' A' ' 4' ' ' PRO . 5.0 ttp180 -59.36 -11.57 4.47 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 123.862 0.865 . . . . 3.89 112.03 -179.135 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' MET . . . . . 0.681 ' SD ' ' HB3' ' A' ' 93' ' ' ASN . 27.0 ptt? -60.9 4.56 0.07 Allowed 'General case' 0 CA--C 1.543 0.702 0 C-N-CA 124.941 1.296 . . . . 3.79 113.963 -171.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . 0.627 ' HA3' ' HA ' ' A' ' 3' ' ' ASP . . . -43.99 164.16 0.04 OUTLIER Glycine 0 CA--C 1.516 0.111 0 O-C-N 123.49 0.494 . . . . 2.52 114.17 178.356 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' THR . . . . . 0.415 ' O ' ' HG3' ' A' ' 127' ' ' LYS . 24.8 m 82.37 -93.19 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 123.619 0.768 . . . . 2.59 109.943 -171.283 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 125' ' ' HIS . 9.8 ptpp? -74.45 -50.14 19.54 Favored 'General case' 0 C--O 1.239 0.528 0 CA-C-N 118.823 0.738 . . . . 3.51 111.578 -174.346 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' HIS . . . . . 0.712 ' HD2' ' HD3' ' A' ' 128' ' ' ARG . 0.2 OUTLIER -72.99 -29.99 63.46 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 109.442 -0.577 . . . . 2.68 109.442 -172.755 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' ALA . . . . . 0.537 ' HB2' ' HA2' ' A' ' 122' ' ' GLY . . . -78.44 -26.77 46.36 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.506 -0.77 . . . . 1.1 111.292 179.795 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . 0.415 ' HG3' ' O ' ' A' ' 123' ' ' THR . 59.8 mttm -68.79 -40.85 79.39 Favored 'General case' 0 N--CA 1.462 0.139 0 C-N-CA 120.986 -0.285 . . . . 3.46 111.124 175.562 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.712 ' HD3' ' HD2' ' A' ' 125' ' ' HIS . 6.5 ptm180 -72.27 -25.91 61.79 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.125 -0.63 . . . . 2.35 110.586 174.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.681 HG13 ' HH2' ' A' ' 81' ' ' TRP . 12.9 t -64.13 -34.5 69.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 121.248 0.546 . . . . 1.21 110.76 170.242 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ARG . . . . . 0.606 ' CG ' " H4'" ' B' ' 8' ' ' ' DA' . 21.3 tpp180 -60.93 -15.29 29.44 Favored 'General case' 0 CA--C 1.533 0.319 0 CA-C-N 115.396 -0.82 . . . . 4.24 112.269 -175.27 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.485 ' HA ' " H5'" ' B' ' 8' ' ' ' DA' . 97.3 m-20 -50.61 -55.46 16.22 Favored 'General case' 0 N--CA 1.469 0.489 0 N-CA-C 112.438 0.533 . . . . 2.36 112.438 -174.368 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLY . . . . . . . . . . . . . . . -142.81 -10.38 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 119.77 -1.205 . . . . 1.33 113.749 -176.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' MET . . . . . 0.532 ' HG2' ' CH2' ' A' ' 81' ' ' TRP . 12.6 tpt -79.34 -28.64 42.06 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 117.012 0.406 . . . . 4.43 110.353 -176.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -66.7 -24.49 66.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.58 -0.736 . . . . 2.13 111.067 -178.535 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' LYS . . . . . . . . . . . . . 32.0 mmmt -101.83 26.08 7.88 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-N 115.882 -0.599 . . . . 3.79 110.771 -177.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' GLY . . . . . 0.48 ' O ' ' HB ' ' A' ' 139' ' ' THR . . . -139.14 -82.28 0.09 OUTLIER Glycine 0 N--CA 1.446 -0.675 0 C-N-CA 119.658 -1.258 . . . . 0.92 113.729 -177.702 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' TRP . . . . . 0.609 ' HA ' HD12 ' A' ' 140' ' ' ILE . 33.6 t90 -64.64 -44.71 74.81 Favored Pre-proline 0 CA--C 1.54 0.582 0 N-CA-C 113.293 0.849 . . . . 3.39 113.293 -170.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.534 ' HD2' ' N ' ' A' ' 137' ' ' TRP . 13.8 Cg_endo -57.17 -33.92 96.8 Favored 'Trans proline' 0 C--N 1.352 0.759 0 C-N-CA 121.86 1.707 . . . . 0.98 111.389 173.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' THR . . . . . 0.48 ' HB ' ' O ' ' A' ' 136' ' ' GLY . 84.5 m -71.37 -39.24 71.38 Favored 'General case' 0 C--O 1.239 0.54 0 CA-C-N 115.21 -0.905 . . . . 0.77 109.442 175.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ILE . . . . . 0.788 ' HA ' ' HG2' ' A' ' 32' ' ' PRO . 66.8 mt -54.75 -48.42 72.9 Favored 'Isoleucine or valine' 0 N--CA 1.449 -0.484 0 CA-C-N 114.864 -1.062 . . . . 0.71 110.649 176.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' LEU . . . . . . . . . . . . . 68.6 mt -58.61 -29.31 66.38 Favored 'General case' 0 C--N 1.329 -0.3 0 O-C-N 123.377 0.423 . . . . 0.54 111.99 -176.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -71.98 -52.54 16.56 Favored 'General case' 0 C--N 1.326 -0.413 0 N-CA-C 109.906 -0.405 . . . . 1.5 109.906 179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' SER . . . . . 0.982 ' HB2' ' HG3' ' A' ' 32' ' ' PRO . 35.9 m -70.88 -23.79 62.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.352 -0.385 . . . . 1.47 110.948 178.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' PHE . . . . . . . . . . . . . 80.3 t80 -58.24 -54.2 49.68 Favored 'General case' 0 C--N 1.328 -0.364 0 C-N-CA 123.303 0.641 . . . . 0.55 110.149 173.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLN . . . . . 0.575 ' CG ' HG13 ' A' ' 10' ' ' VAL . 39.2 mt-30 -66.52 -33.05 74.82 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.734 -0.666 . . . . 1.66 111.145 179.676 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ASP . . . . . 0.56 ' O ' ' HG3' ' A' ' 150' ' ' GLU . 34.1 t70 -76.44 -47.63 22.41 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.792 -0.363 . . . . 1.46 111.488 -177.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' LYS . . . . . 0.46 ' HD3' ' O ' ' A' ' 147' ' ' LYS . 1.7 tmtp? -53.93 -46.89 71.65 Favored 'General case' 0 C--O 1.232 0.162 0 N-CA-C 109.525 -0.546 . . . . 3.23 109.525 174.494 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.858 HG21 HG13 ' A' ' 12' ' ' VAL . 52.3 mt -67.67 -32.59 57.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 115.905 -0.589 . . . . 0.43 111.502 179.578 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ASP . . . . . 0.52 ' OD1' ' HG3' ' A' ' 13' ' ' LYS . 32.4 t70 -59.43 -32.85 70.58 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.603 0.716 . . . . 0.71 109.865 176.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLU . . . . . 0.56 ' HG3' ' O ' ' A' ' 146' ' ' ASP . 21.0 mt-10 -80.03 -17.81 51.81 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.223 -0.899 . . . . 1.59 111.111 179.092 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' GLU . . . . . 0.441 ' HG2' ' O ' ' A' ' 147' ' ' LYS . 7.8 mm-40 -75.19 -21.91 58.38 Favored 'General case' 0 C--N 1.326 -0.443 0 N-CA-C 112.334 0.494 . . . . 2.34 112.334 -176.297 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' GLY . . . . . . . . . . . . . . . -170.52 53.75 0.19 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 119.835 -1.174 . . . . 1.19 113.376 -179.299 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' ALA . . . . . . . . . . . . . . . -172.56 -53.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 120.971 0.415 . . . . 1.24 110.539 179.293 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' LYS . . . . . 0.479 ' HB3' ' HA ' ' A' ' 150' ' ' GLU . 30.3 ttmt -91.52 -64.92 1.06 Allowed 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.844 -0.616 . . . . 1.47 111.559 -176.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' LYS . . . . . 0.553 ' H ' ' HA ' ' A' ' 150' ' ' GLU . 15.1 ttpp . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.633 -0.699 . . . . 2.33 111.273 -171.138 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.55 2.072 0 N19-C1'-C2' 118.192 2.495 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ' DC' . . . . . 0.453 H2'' " O5'" ' B' ' 3' ' ' ' DA' . . . . . . . . 0 C2'--C1' 1.503 -1.316 0 C3'-C2'-C1' 106.482 2.701 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' ' DA' . . . . . 0.453 " O5'" H2'' ' B' ' 2' ' ' ' DC' . . . . . . . . 0 C4'--C3' 1.541 1.31 0 OP1-P-O3' 99.208 -2.56 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' ' DT' . . . . . 0.42 " O5'" H2'' ' B' ' 3' ' ' ' DA' . . . . . . . . 0 O5'--C5' 1.41 -1.849 0 O4'-C4'-C3' 102.098 -3.502 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ' DA' . . . . . 0.522 H2'' " O5'" ' B' ' 6' ' ' ' DT' . . . . . . . . 0 O3'--C3' 1.47 2.966 3 OP1-P-O3' 131.318 7.474 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' ' DT' . . . . . 0.522 " O5'" H2'' ' B' ' 5' ' ' ' DA' . . . . . . . . 0 O3'--C3' 1.463 2.441 0 P-O3'-C3' 122.705 2.504 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ' DG' . . . . . 0.736 ' OP2' ' HA3' ' A' ' 87' ' ' GLY . . . . . . . . 0 P--O3' 1.629 1.797 0 P-O3'-C3' 122.532 2.36 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ' DA' . . . . . 0.606 " H4'" ' CG ' ' A' ' 130' ' ' ARG . . . . . . . . 0 C4'--C3' 1.54 1.154 0 C3'-C2'-C1' 105.719 2.156 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' ' DT' . . . . . 0.68 H2'' " O5'" ' B' ' 10' ' ' ' DA' . . . . . . . . 0 P--O3' 1.622 1.277 0 O4'-C1'-N19 110.539 3.424 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ' DA' . . . . . 0.68 " O5'" H2'' ' B' ' 9' ' ' ' DT' . . . . . . . . 1 O3'--C3' 1.372 -4.564 0 O4'-C1'-C2' 109.804 3.368 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ' DG' . . . . . . . . . . . . . . . . . . . . 1 P--O3' 1.543 -5.361 0 C5'-C4'-C3' 120.528 3.885 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 O3'--C3' 1.455 1.852 0 C3'-C2'-C1' 106.994 3.067 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' ' DT' . . . . . 0.51 H2'' " O5'" ' C' ' 14' ' ' ' DA' . . . . . . . . 0 P--O3' 1.636 2.451 0 N19-C1'-C2' 118.182 2.488 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' ' DA' . . . . . 0.757 H2'' " O5'" ' C' ' 15' ' ' ' DT' . . . . . . . . 0 O5'--C5' 1.378 -3.875 1 C2'-C3'-O3' 121.516 4.043 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' ' DT' . . . . . 0.757 " O5'" H2'' ' C' ' 14' ' ' ' DA' . . . . . . . . 0 C4'--C3' 1.543 1.501 1 OP1-P-O3' 122.096 4.593 . . . . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' ' DC' . . . . . . . . . . . . . . . . . . . . 0 C3'--C2' 1.526 0.834 0 N19-C1'-C2' 119.214 3.134 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' ' DA' . . . . . . . . . . . . . . . . . . . . 0 C2'--C1' 1.501 -1.451 0 N19-C1'-C2' 110.242 -2.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' ' DT' . . . . . 0.634 H5'' ' HD2' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.537 1.863 0 C5'-C4'-C3' 118.961 2.84 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' ' DA' . . . . . 0.511 ' OP1' ' NH1' ' A' ' 128' ' ' ARG . . . . . . . . 0 C3'--C2' 1.531 1.322 0 O4'-C1'-C2' 103.758 -2.129 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ' DT' . . . . . 0.559 H2'' " O5'" ' C' ' 21' ' ' ' DG' . . . . . . . . 0 C4'--C3' 1.544 1.602 0 C5'-C4'-O4' 106.559 -1.775 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ' DG' . . . . . 0.675 H2'' " O5'" ' C' ' 22' ' ' ' DC' . . . . . . . . 0 O3'--C3' 1.462 2.366 0 C4'-C3'-O3' 114.897 2.09 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' ' DC' . . . . . 0.675 " O5'" H2'' ' C' ' 21' ' ' ' DG' . . . . . . . . 0 P--O3' 1.629 1.857 0 P-O3'-C3' 122.777 2.564 . . . . 0.0 . . . . . . . . . . 1 1 . 1 stop_ save_