data_1erg_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 1erg _Structure_validation_residue.Date_analyzed 2016-10-06 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.431 HD23 ' O ' ' A' ' 66' ' ' LYS . 1.2 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.615 -0.513 . . . . 2.6699999999999999 109.615 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLN . . . . . 0.469 ' O ' ' SG ' ' A' ' 3' ' ' CYS . 87.9 mt-30 -95.38 -164.74 1.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 2.3399999999999999 109.202 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.537 ' HB3' ' ND2' ' A' ' 5' ' ' ASN . 5.2 m -162.61 124.65 2.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.415 -0.803 . . . . 1.29 109.829 -179.962 -86.142 -89.032 164.313 104.198 2.019 103.04 111.823 -163.663 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' TYR . . . . . 0.566 ' HB2' ' CB ' ' A' ' 70' ' ' ASN . 0.3 OUTLIER -89.5 85.98 6.65 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.986 -1.487 . . . . 3.6000000000000001 106.986 178.226 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . 0.537 ' ND2' ' HB3' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -150.35 -173.49 4.47 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.236 1.017 . . . . 3.3100000000000001 111.556 -177.152 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' CYS . . . . . 0.61 ' HB3' HG22 ' A' ' 10' ' ' THR . 1.8 t -144.61 136.99 13.33 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.205 -1.405 . . . . 4.3600000000000003 107.205 179.873 -150.258 115.223 79.272 104.63 2.027 105.331 -124.036 165.833 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . 0.411 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 6.1 Cg_exo -57.35 -57.92 1.08 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.386 2.057 . . . . 7.79 114.39 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . 0.542 ' O ' ' CG2' ' A' ' 10' ' ' THR . 0.0 OUTLIER -87.56 172.74 7.46 Favored Pre-proline 0 C--N 1.299 -1.618 0 O-C-N 120.335 -1.478 . . . . 7.6600000000000001 109.533 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.516 ' HD2' ' CB ' ' A' ' 8' ' ' ASN . 4.5 Cg_exo -56.88 86.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.708 1.606 . . . . 4.75 108.708 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.61 HG22 ' HB3' ' A' ' 6' ' ' CYS . 4.7 p -111.07 122.0 46.77 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.493 -0.754 . . . . 2.5800000000000001 110.587 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.72 -16.73 23.94 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.86 -1.163 . . . . 3.4700000000000002 107.86 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.13 50.18 1.69 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.59 -0.694 . . . . 4.0700000000000003 109.261 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . 0.588 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 6.8 t -167.27 129.7 1.68 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.122 -0.986 . . . . 3.6400000000000001 109.734 -179.877 165.833 -124.036 79.272 105.331 2.027 104.63 115.223 -150.258 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 15' ' ' THR . 0.0 OUTLIER -152.86 32.02 0.49 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.947 -1.131 . . . . 6.04 107.947 178.906 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -32.58 149.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.538 0.685 . . . . 3.0 110.881 -178.736 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.33 127.6 35.81 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.494 -0.753 . . . . 1.6599999999999999 109.206 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.423 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -139.0 -167.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.455 -0.943 . . . . 2.1499999999999999 108.455 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASN . . . . . 0.459 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -147.54 113.45 5.77 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.911 -1.118 . . . . 3.2000000000000002 109.194 179.491 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.86 80.65 1.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.365 -0.934 . . . . 2.1200000000000001 110.95 -179.455 45.55 140.369 -94.714 104.031 2.018 104.467 -125.372 -22.252 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . 0.514 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -118.28 -99.38 0.44 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.044 -1.035 . . . . 2.8500000000000001 109.027 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.486 ' HB3' ' O ' ' A' ' 20' ' ' SER . 17.6 t 73.61 -75.6 0.07 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.725 -1.213 . . . . 2.6200000000000001 107.725 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.586 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -120.95 3.24 10.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.13 -1.063 . . . . 2.7599999999999998 108.13 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.644 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 3.4 p90 -146.82 80.2 1.54 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.289 -0.882 . . . . 2.5499999999999998 110.374 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.555 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.0 OUTLIER -96.81 10.45 38.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.961 -1.087 . . . . 0.94999999999999996 108.993 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ALA . . . . . 0.542 ' HB1' ' N ' ' A' ' 42' ' ' PHE . . . -83.55 99.84 10.41 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 103.644 -2.725 . . . . 1.26 103.644 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.22 103.79 12.07 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 122.294 1.045 . . . . 0.84999999999999998 108.216 -175.754 -163.663 111.823 164.313 103.04 2.019 104.198 -89.032 -86.142 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.644 ' CD2' ' CE3' ' A' ' 40' ' ' TRP . 0.2 OUTLIER -89.95 136.8 32.83 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.013 0.911 . . . . 2.02 111.454 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.501 HG12 ' OD1' ' A' ' 37' ' ' ASN . 4.9 mt -118.64 100.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 106.547 -1.649 . . . . 2.4199999999999999 106.547 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 0.537 ' O ' ' HA ' ' A' ' 35' ' ' VAL . 53.6 m -86.88 144.54 26.94 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.628 -1.295 . . . . 1.46 110.526 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.531 ' HG3' ' CG2' ' A' ' 35' ' ' VAL . 1.4 tttt -129.79 76.43 1.72 Allowed 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.045 -1.094 . . . . 3.1200000000000001 108.045 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -88.42 120.66 30.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.115 -0.991 . . . . 1.3300000000000001 108.747 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.76 -90.92 0.01 OUTLIER Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.061 -1.616 . . . . 2.3700000000000001 109.061 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.483 ' N ' ' O ' ' A' ' 31' ' ' ALA . 0.5 OUTLIER -128.91 -36.15 1.81 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.25 -1.147 . . . . 4.5300000000000002 109.441 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -74.37 123.02 23.87 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 4.4699999999999998 109.802 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.537 ' HA ' ' O ' ' A' ' 29' ' ' THR . 1.2 t -89.39 119.36 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.258 -0.902 . . . . 1.9099999999999999 108.952 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . 0.543 ' CG ' HD11 ' A' ' 54' ' ' LEU . 6.3 m-85 -89.77 79.08 6.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.474 -1.306 . . . . 4.1699999999999999 107.474 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ASN . . . . . 0.503 ' HB3' ' HB2' ' A' ' 5' ' ' ASN . 0.1 OUTLIER -89.75 126.3 35.61 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.668 0.747 . . . . 2.0699999999999998 110.576 -178.234 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 -179.18 7.1 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.515 -0.92 . . . . 2.5499999999999998 108.515 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 157.56 18.7 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.183 -1.414 . . . . 1.47 107.183 179.07 -22.252 -125.372 -94.714 104.467 2.018 104.031 140.369 45.55 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.644 ' CE3' ' CD2' ' A' ' 27' ' ' LEU . 2.6 t-105 -146.24 163.92 33.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.591 -1.318 . . . . 2.3599999999999999 111.842 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.644 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 65.4 mttt -88.58 103.83 16.27 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.728 0.775 . . . . 2.8900000000000001 109.506 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.586 ' CZ ' ' O ' ' A' ' 22' ' ' ASP . 0.1 OUTLIER -17.63 -52.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.952 -1.022 . . . . 1.71 111.743 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' LYS . 1.4 mt-10 -78.66 39.44 0.35 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.72 -0.612 . . . . 2.6699999999999999 111.344 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.461 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 53.7 m80 -144.2 5.08 1.27 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.507 -1.371 . . . . 2.98 110.664 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.581 ' HA ' ' CG2' ' A' ' 50' ' ' VAL . 34.8 t -90.77 53.27 2.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.67 -1.269 . . . . 1.53 109.336 179.61 -171.002 175.504 -96.318 104.441 2.022 104.396 -144.835 63.381 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.458 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 49.1 m-80 -77.34 -84.97 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.751 -0.833 . . . . 1.49 108.751 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' O ' ' CZ ' ' A' ' 61' ' ' TYR . 21.2 t80 -122.59 -94.44 0.5 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.568 -0.901 . . . . 1.6100000000000001 108.568 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASN . . . . . 0.466 ' O ' ' OG1' ' A' ' 52' ' ' THR . 2.9 m120 -91.02 -0.98 57.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.927 -1.108 . . . . 1.0 109.295 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASP . . . . . 0.461 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 2.4 m-20 -56.13 -17.42 7.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 1.1699999999999999 109.346 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.608 ' O ' ' CZ2' ' A' ' 40' ' ' TRP . 55.9 t -82.81 -58.89 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 1.95 109.098 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' THR . . . . . 0.544 ' CG2' ' HA ' ' A' ' 56' ' ' GLU . 5.7 t -87.88 13.47 10.74 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.072 -1.018 . . . . 1.8100000000000001 109.24 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 48' ' ' ASN . 2.4 m -59.82 -56.36 22.77 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 107.357 -1.349 . . . . 1.79 107.357 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.65 -4.48 46.25 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.537 -0.912 . . . . 4.1600000000000001 108.537 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.543 HD11 ' CG ' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -118.79 31.15 6.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.549 -0.72 . . . . 3.1899999999999999 109.576 -179.282 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER 77.79 108.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.15 -0.969 . . . . 5.1399999999999997 109.257 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.544 ' HA ' ' CG2' ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.28 170.36 8.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.959 -1.088 . . . . 4.7199999999999998 111.078 -179.288 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 6.0 m-20 160.25 -96.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.336 -0.987 . . . . 4.2999999999999998 108.336 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.56 45.63 2.77 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.997 -1.064 . . . . 1.95 109.126 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.584 ' HG ' ' N ' ' A' ' 60' ' ' THR . 2.4 pt? -73.76 -152.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.824 0.821 . . . . 2.3900000000000001 110.535 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.584 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -161.22 72.03 0.41 Allowed 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.261 -1.755 . . . . 1.71 106.261 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 47' ' ' PHE . 27.6 p90 -88.21 148.64 24.27 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.977 0.894 . . . . 1.47 111.092 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' TYR . . . . . 0.461 ' O ' HD13 ' A' ' 28' ' ' ILE . 12.8 t80 -124.91 109.42 12.99 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.383 -1.34 . . . . 3.5 107.383 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' O ' ' SG ' ' A' ' 63' ' ' CYS . 30.4 p -103.45 119.47 38.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 1.6100000000000001 111.324 -178.059 63.381 -144.835 -96.318 104.396 2.022 104.441 175.504 -171.002 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -96.37 168.63 10.45 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.6 -1.259 . . . . 1.6799999999999999 107.6 177.898 -5.233 147.977 34.278 104.367 2.024 104.266 153.787 81.642 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.577 ' HE3' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -150.84 58.0 0.92 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.929 -1.107 . . . . 3.7200000000000002 109.028 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.431 ' O ' HD23 ' A' ' 1' ' ' LEU . 3.1 tttp -143.95 -44.04 0.27 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.509 0.671 . . . . 2.9300000000000002 109.474 -179.566 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.48 ' HB3' HD22 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -174.65 -163.49 0.14 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.259 -1.015 . . . . 3.0899999999999999 108.259 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 1.7 pt? -43.37 -27.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.366 -0.933 . . . . 2.5099999999999998 108.793 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 5.5 p 44.56 35.55 1.42 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.534 0.683 . . . . 1.5900000000000001 110.529 177.817 81.642 153.787 34.278 104.266 2.024 104.367 147.977 -5.233 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.566 ' CB ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 t30 . . . . . 0 C--N 1.296 -1.743 0 CA-C-O 117.899 -1.048 . . . . 4.4199999999999999 109.715 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 24' ' ' ASP . 1.2 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.615 -0.513 . . . . 2.15 109.615 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 87.9 mt-30 -95.38 -164.74 1.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 2.34 109.202 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 5.2 m -162.61 124.65 2.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.415 -0.803 . . . . 1.22 109.829 -179.962 -86.142 -89.032 164.313 104.198 2.019 103.04 111.823 -163.663 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -89.5 85.98 6.65 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.986 -1.487 . . . . 2.8 106.986 178.226 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . 0.513 ' HB2' ' HB3' ' A' ' 37' ' ' ASN . 15.1 p-10 -150.35 -173.49 4.47 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.236 1.017 . . . . 2.78 111.556 -177.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' CYS . . . . . 1.005 ' SG ' HG21 ' A' ' 10' ' ' THR . 1.8 t -144.61 136.99 13.33 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.205 -1.405 . . . . 4.26 107.205 179.873 -150.258 115.223 79.272 104.63 2.027 105.331 -124.036 165.833 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 6.1 Cg_exo -57.35 -57.92 1.08 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.386 2.057 . . . . 7.21 114.39 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . 1.042 ' O ' HG23 ' A' ' 10' ' ' THR . 0.1 OUTLIER -87.56 172.74 7.46 Favored Pre-proline 0 C--N 1.299 -1.618 0 O-C-N 120.335 -1.478 . . . . 6.96 109.533 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.536 ' HD2' ' CB ' ' A' ' 8' ' ' ASN . 4.5 Cg_exo -56.88 86.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.708 1.606 . . . . 4.28 108.708 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 8' ' ' ASN . 4.7 p -111.07 122.0 46.77 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.493 -0.754 . . . . 2.17 110.587 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.72 -16.73 23.94 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.86 -1.163 . . . . 3.05 107.86 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.13 50.18 1.69 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.59 -0.694 . . . . 4.07 109.261 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 6.8 t -167.27 129.7 1.68 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.122 -0.986 . . . . 3.64 109.734 -179.877 165.833 -124.036 79.272 105.331 2.027 104.63 115.223 -150.258 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' C ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -152.86 32.02 0.49 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.947 -1.131 . . . . 5.7 107.947 178.906 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -32.58 149.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.538 0.685 . . . . 2.57 110.881 -178.736 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.33 127.6 35.81 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.494 -0.753 . . . . 1.25 109.206 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -139.0 -167.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.455 -0.943 . . . . 1.66 108.455 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -147.54 113.45 5.77 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.911 -1.118 . . . . 2.51 109.194 179.491 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.86 80.65 1.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.365 -0.934 . . . . 1.78 110.95 -179.455 45.55 140.369 -94.714 104.031 2.018 104.467 -125.372 -22.252 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -118.28 -99.38 0.44 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.044 -1.035 . . . . 2.55 109.027 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' SER . 17.6 t 73.61 -75.6 0.07 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.725 -1.213 . . . . 2.31 107.725 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.586 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -120.95 3.24 10.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.13 -1.063 . . . . 2.76 108.13 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 3.4 p90 -146.82 80.2 1.54 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.289 -0.882 . . . . 1.89 110.374 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -96.81 10.45 38.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.961 -1.087 . . . . 0.95 108.993 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . . . -83.55 99.84 10.41 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 103.644 -2.725 . . . . 0.65 103.644 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.22 103.79 12.07 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 122.294 1.045 . . . . 0.85 108.216 -175.754 -163.663 111.823 164.313 103.04 2.019 104.198 -89.032 -86.142 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.057 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -89.95 136.8 32.83 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.013 0.911 . . . . 1.31 111.454 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 mt -118.64 100.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 106.547 -1.649 . . . . 1.91 106.547 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 59' ' ' LEU . 53.6 m -86.88 144.54 26.94 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.628 -1.295 . . . . 1.19 110.526 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' CG2' ' A' ' 35' ' ' VAL . 1.4 tttt -129.79 76.43 1.72 Allowed 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.045 -1.094 . . . . 2.37 108.045 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -88.42 120.66 30.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.115 -0.991 . . . . 1.33 108.747 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.76 -90.92 0.01 OUTLIER Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.061 -1.616 . . . . 2.37 109.061 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -128.91 -36.15 1.81 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.25 -1.147 . . . . 3.91 109.441 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -74.37 123.02 23.87 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 3.72 109.802 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 29' ' ' THR . 1.2 t -89.39 119.36 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.258 -0.902 . . . . 1.35 108.952 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.906 ' CG ' HD12 ' A' ' 54' ' ' LEU . 6.3 m-85 -89.77 79.08 6.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.474 -1.306 . . . . 3.99 107.474 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' OD1' HG12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -89.75 126.3 35.61 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.668 0.747 . . . . 2.07 110.576 -178.234 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 -179.18 7.1 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.515 -0.92 . . . . 2.05 108.515 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 157.56 18.7 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.183 -1.414 . . . . 1.25 107.183 179.07 -22.252 -125.372 -94.714 104.467 2.018 104.031 140.369 45.55 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.844 ' CE3' HD23 ' A' ' 27' ' ' LEU . 2.6 t-105 -146.24 163.92 33.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.591 -1.318 . . . . 1.67 111.842 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 65.4 mttt -88.58 103.83 16.27 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.728 0.775 . . . . 2.38 109.506 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.968 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -17.63 -52.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.952 -1.022 . . . . 1.27 111.743 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' LYS . 1.4 mt-10 -78.66 39.44 0.35 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.72 -0.612 . . . . 2.67 111.344 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 53.7 m80 -144.2 5.08 1.27 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.507 -1.371 . . . . 2.64 110.664 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.628 ' HA ' HG23 ' A' ' 50' ' ' VAL . 34.8 t -90.77 53.27 2.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.67 -1.269 . . . . 1.53 109.336 179.61 -171.002 175.504 -96.318 104.441 2.022 104.396 -144.835 63.381 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.47 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 49.1 m-80 -77.34 -84.97 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.751 -0.833 . . . . 1.49 108.751 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' O ' ' CZ ' ' A' ' 61' ' ' TYR . 21.2 t80 -122.59 -94.44 0.5 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.568 -0.901 . . . . 1.47 108.568 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASN . . . . . 0.467 ' ND2' ' CE2' ' A' ' 47' ' ' PHE . 30.0 m-20 -91.02 -0.98 57.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.927 -1.108 . . . . 1.0 109.295 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 2.4 m-20 -56.13 -17.42 7.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 1.17 109.346 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 1.057 HG13 HD22 ' A' ' 27' ' ' LEU . 55.9 t -82.81 -58.89 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 1.21 109.098 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 56' ' ' GLU . 5.7 t -87.88 13.47 10.74 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.072 -1.018 . . . . 1.14 109.24 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 48' ' ' ASN . 2.4 m -59.82 -56.36 22.77 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 107.357 -1.349 . . . . 1.09 107.357 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.65 -4.48 46.25 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.537 -0.912 . . . . 3.42 108.537 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.906 HD12 ' CG ' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -118.79 31.15 6.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.549 -0.72 . . . . 2.55 109.576 -179.282 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER 77.79 108.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.15 -0.969 . . . . 4.65 109.257 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HA ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.28 170.36 8.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.959 -1.088 . . . . 4.72 111.078 -179.288 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 6.0 m-20 160.25 -96.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.336 -0.987 . . . . 3.48 108.336 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.56 45.63 2.77 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.997 -1.064 . . . . 1.95 109.126 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 1.037 HD12 HG23 ' A' ' 29' ' ' THR . 2.4 pt? -73.76 -152.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.824 0.821 . . . . 1.78 110.535 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -161.22 72.03 0.41 Allowed 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.261 -1.755 . . . . 1.02 106.261 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 47' ' ' PHE . 27.6 p90 -88.21 148.64 24.27 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.977 0.894 . . . . 1.01 111.092 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.8 t80 -124.91 109.42 12.99 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.383 -1.34 . . . . 3.24 107.383 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 63' ' ' CYS . 30.4 p -103.45 119.47 38.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 1.45 111.324 -178.059 63.381 -144.835 -96.318 104.396 2.022 104.441 175.504 -171.002 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -96.37 168.63 10.45 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.6 -1.259 . . . . 1.31 107.6 177.898 -5.233 147.977 34.278 104.367 2.024 104.266 153.787 81.642 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HE3' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -150.84 58.0 0.92 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.929 -1.107 . . . . 3.33 109.028 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -143.95 -44.04 0.27 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.509 0.671 . . . . 2.47 109.474 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -174.65 -163.49 0.14 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.259 -1.015 . . . . 3.09 108.259 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 4' ' ' TYR . 1.7 pt? -43.37 -27.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.366 -0.933 . . . . 1.93 108.793 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 5.5 p 44.56 35.55 1.42 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.534 0.683 . . . . 1.59 110.529 177.817 81.642 153.787 34.278 104.266 2.024 104.367 147.977 -5.233 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.597 ' CB ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 t30 . . . . . 0 C--N 1.296 -1.743 0 CA-C-O 117.899 -1.048 . . . . 3.68 109.715 179.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.454 ' HG ' ' HB3' ' A' ' 24' ' ' ASP . 1.2 mm? . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.615 -0.513 . . . . 2.15 109.615 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 18' ' ' ASN . 87.9 mt-30 -95.38 -164.74 1.2 Allowed 'General case' 0 C--N 1.303 -1.42 0 O-C-N 121.156 -0.965 . . . . 2.34 109.202 179.583 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.571 ' HA ' ' HA ' ' A' ' 68' ' ' LEU . 5.2 m -162.61 124.65 2.68 Favored 'General case' 0 C--N 1.303 -1.421 0 O-C-N 121.415 -0.803 . . . . 1.22 109.829 -179.962 -86.142 -89.032 164.313 104.198 2.019 103.04 111.823 -163.663 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' TYR . . . . . 0.816 ' CD2' HD12 ' A' ' 68' ' ' LEU . 0.3 OUTLIER -89.5 85.98 6.65 Favored 'General case' 0 C--N 1.301 -1.502 0 N-CA-C 106.986 -1.487 . . . . 2.8 106.986 178.226 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . 0.561 ' ND2' ' HB3' ' A' ' 3' ' ' CYS . 0.7 OUTLIER -150.35 -173.49 4.47 Favored 'General case' 0 C--N 1.304 -1.385 0 CA-C-O 122.236 1.017 . . . . 2.78 111.556 -177.152 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' CYS . . . . . 1.005 ' SG ' HG21 ' A' ' 10' ' ' THR . 1.8 t -144.61 136.99 13.33 Favored Pre-proline 0 C--N 1.303 -1.446 0 N-CA-C 107.205 -1.405 . . . . 4.26 107.205 179.873 -150.258 115.223 79.272 104.63 2.027 105.331 -124.036 165.833 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . 0.425 ' HD2' ' SG ' ' A' ' 6' ' ' CYS . 6.1 Cg_exo -57.35 -57.92 1.08 Allowed 'Trans proline' 0 C--N 1.308 -1.554 0 C-N-CA 122.386 2.057 . . . . 7.21 114.39 -176.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . 1.042 ' O ' HG23 ' A' ' 10' ' ' THR . 0.0 OUTLIER -87.56 172.74 7.46 Favored Pre-proline 0 C--N 1.299 -1.618 0 O-C-N 120.335 -1.478 . . . . 6.96 109.533 -177.949 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.536 ' HD2' ' CB ' ' A' ' 8' ' ' ASN . 4.5 Cg_exo -56.88 86.8 0.04 OUTLIER 'Trans proline' 0 C--N 1.311 -1.417 0 C-N-CA 121.708 1.606 . . . . 4.28 108.708 179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 1.042 HG23 ' O ' ' A' ' 8' ' ' ASN . 4.7 p -111.07 122.0 46.77 Favored 'General case' 0 C--N 1.301 -1.522 0 O-C-N 121.493 -0.754 . . . . 2.17 110.587 -178.448 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -93.72 -16.73 23.94 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 107.86 -1.163 . . . . 3.05 107.86 178.206 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -124.13 50.18 1.69 Allowed 'General case' 0 N--CA 1.487 1.424 0 O-C-N 121.59 -0.694 . . . . 4.07 109.261 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . 0.618 ' HB3' ' HB ' ' A' ' 10' ' ' THR . 6.8 t -167.27 129.7 1.68 Allowed 'General case' 0 C--N 1.3 -1.549 0 O-C-N 121.122 -0.986 . . . . 3.64 109.734 -179.877 165.833 -124.036 79.272 105.331 2.027 104.63 115.223 -150.258 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.484 ' HD2' ' C ' ' A' ' 13' ' ' CYS . 0.0 OUTLIER -152.86 32.02 0.49 Allowed 'General case' 0 C--N 1.297 -1.697 0 N-CA-C 107.947 -1.131 . . . . 5.7 107.947 178.906 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.481 ' C ' ' O ' ' A' ' 14' ' ' LYS . 0.6 OUTLIER -32.58 149.04 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 CA-C-O 121.538 0.685 . . . . 2.57 110.881 -178.736 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -89.33 127.6 35.81 Favored 'General case' 0 C--N 1.305 -1.355 0 O-C-N 121.494 -0.753 . . . . 1.25 109.206 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.421 ' O ' ' HA ' ' A' ' 2' ' ' GLN . 1.0 OUTLIER -139.0 -167.19 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 N-CA-C 108.455 -0.943 . . . . 1.66 108.455 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASN . . . . . 0.48 ' HA ' ' HA ' ' A' ' 2' ' ' GLN . 0.5 OUTLIER -147.54 113.45 5.77 Favored 'General case' 0 C--N 1.295 -1.769 0 O-C-N 120.911 -1.118 . . . . 2.51 109.194 179.491 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.2 p -143.86 80.65 1.66 Allowed 'General case' 0 N--CA 1.491 1.605 0 C-N-CA 119.365 -0.934 . . . . 1.78 110.95 -179.455 45.55 140.369 -94.714 104.031 2.018 104.467 -125.372 -22.252 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . 0.564 ' HB3' ' HA ' ' A' ' 24' ' ' ASP . 0.1 OUTLIER -118.28 -99.38 0.44 Allowed 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.044 -1.035 . . . . 2.55 109.027 178.467 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.489 ' HB3' ' O ' ' A' ' 20' ' ' SER . 17.6 t 73.61 -75.6 0.07 Allowed 'General case' 0 N--CA 1.494 1.728 0 N-CA-C 107.725 -1.213 . . . . 2.31 107.725 -179.026 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.586 ' O ' ' CZ ' ' A' ' 42' ' ' PHE . 0.5 OUTLIER -120.95 3.24 10.52 Favored 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.13 -1.063 . . . . 2.76 108.13 178.186 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.663 ' HA ' ' HA ' ' A' ' 41' ' ' LYS . 3.4 p90 -146.82 80.2 1.54 Allowed 'General case' 0 N--CA 1.486 1.374 0 O-C-N 121.289 -0.882 . . . . 1.89 110.374 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.564 ' HA ' ' HB3' ' A' ' 20' ' ' SER . 0.0 OUTLIER -96.81 10.45 38.87 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.961 -1.087 . . . . 0.95 108.993 178.796 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ALA . . . . . 0.968 ' HB2' ' HA ' ' A' ' 42' ' ' PHE . . . -83.55 99.84 10.41 Favored 'General case' 0 C--N 1.293 -1.855 0 N-CA-C 103.644 -2.725 . . . . 0.65 103.644 177.651 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' CYS . . . . . . . . . . . . . 9.5 t -82.22 103.79 12.07 Favored 'General case' 0 C--N 1.284 -2.258 0 CA-C-O 122.294 1.045 . . . . 0.85 108.216 -175.754 -163.663 111.823 164.313 103.04 2.019 104.198 -89.032 -86.142 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.057 HD22 HG13 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -89.95 136.8 32.83 Favored 'General case' 0 N--CA 1.485 1.298 0 CA-C-O 122.013 0.911 . . . . 1.31 111.454 -176.575 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.542 ' N ' HD12 ' A' ' 27' ' ' LEU . 4.9 mt -118.64 100.6 10.26 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 106.547 -1.649 . . . . 1.91 106.547 177.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.037 HG23 HD12 ' A' ' 59' ' ' LEU . 53.6 m -86.88 144.54 26.94 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 120.628 -1.295 . . . . 1.19 110.526 -177.719 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.557 ' HG3' ' CG2' ' A' ' 35' ' ' VAL . 1.4 tttt -129.79 76.43 1.72 Allowed 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.045 -1.094 . . . . 2.37 108.045 179.447 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 33' ' ' LEU . . . -88.42 120.66 30.01 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.115 -0.991 . . . . 1.33 108.747 -179.453 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . 54.76 -90.92 0.01 OUTLIER Glycine 0 N--CA 1.486 1.967 0 N-CA-C 109.061 -1.616 . . . . 2.37 109.061 -179.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.51 HD12 ' N ' ' A' ' 33' ' ' LEU . 0.5 OUTLIER -128.91 -36.15 1.81 Allowed 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.25 -1.147 . . . . 3.91 109.441 179.652 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLN . . . . . . . . . . . . . 12.1 mt-30 -74.37 123.02 23.87 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.33 -0.856 . . . . 3.72 109.802 -179.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.735 HG22 ' O ' ' A' ' 29' ' ' THR . 1.2 t -89.39 119.36 36.37 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.467 0 O-C-N 121.258 -0.902 . . . . 1.35 108.952 179.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.906 ' CG ' HD12 ' A' ' 54' ' ' LEU . 6.3 m-85 -89.77 79.08 6.79 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.474 -1.306 . . . . 3.99 107.474 178.465 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ASN . . . . . 0.52 ' OD1' HG12 ' A' ' 28' ' ' ILE . 0.1 OUTLIER -89.75 126.3 35.61 Favored 'General case' 0 C--N 1.302 -1.458 0 CA-C-O 121.668 0.747 . . . . 2.07 110.576 -178.234 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -151.1 -179.18 7.1 Favored 'General case' 0 C--N 1.302 -1.489 0 N-CA-C 108.515 -0.92 . . . . 2.05 108.515 178.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.31 157.56 18.7 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.183 -1.414 . . . . 1.25 107.183 179.07 -22.252 -125.372 -94.714 104.467 2.018 104.031 140.369 45.55 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.844 ' CE3' HD23 ' A' ' 27' ' ' LEU . 2.6 t-105 -146.24 163.92 33.93 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.591 -1.318 . . . . 1.67 111.842 -177.414 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.663 ' HA ' ' HA ' ' A' ' 23' ' ' PHE . 65.4 mttt -88.58 103.83 16.27 Favored 'General case' 0 C--N 1.305 -1.362 0 CA-C-O 121.728 0.775 . . . . 2.38 109.506 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.968 ' HA ' ' HB2' ' A' ' 25' ' ' ALA . 0.1 OUTLIER -17.63 -52.18 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.764 0 CA-C-N 114.952 -1.022 . . . . 1.27 111.743 179.529 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.52 ' N ' ' O ' ' A' ' 41' ' ' LYS . 1.4 mt-10 -78.66 39.44 0.35 Allowed 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.72 -0.612 . . . . 2.67 111.344 -178.694 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.478 ' O ' ' HB2' ' A' ' 49' ' ' ASP . 53.7 m80 -144.2 5.08 1.27 Allowed 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.507 -1.371 . . . . 2.64 110.664 179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.628 ' HA ' HG23 ' A' ' 50' ' ' VAL . 34.8 t -90.77 53.27 2.36 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.67 -1.269 . . . . 1.53 109.336 179.61 -171.002 175.504 -96.318 104.441 2.022 104.396 -144.835 63.381 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.47 ' HB2' ' OD2' ' A' ' 49' ' ' ASP . 49.1 m-80 -77.34 -84.97 0.07 Allowed 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.751 -0.833 . . . . 1.49 108.751 179.495 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.554 ' O ' ' CZ ' ' A' ' 61' ' ' TYR . 21.2 t80 -122.59 -94.44 0.5 Allowed 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 108.568 -0.901 . . . . 1.47 108.568 179.454 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASN . . . . . 0.466 ' O ' ' OG1' ' A' ' 52' ' ' THR . 2.9 m120 -91.02 -0.98 57.87 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.927 -1.108 . . . . 1.0 109.295 179.183 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASP . . . . . 0.478 ' HB2' ' O ' ' A' ' 44' ' ' HIS . 2.4 m-20 -56.13 -17.42 7.15 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.309 -0.87 . . . . 1.17 109.346 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 1.057 HG13 HD22 ' A' ' 27' ' ' LEU . 55.9 t -82.81 -58.89 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.216 -0.928 . . . . 1.21 109.098 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' THR . . . . . 0.614 HG23 ' HA ' ' A' ' 56' ' ' GLU . 5.7 t -87.88 13.47 10.74 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.072 -1.018 . . . . 1.14 109.24 -179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' A' ' 48' ' ' ASN . 2.4 m -59.82 -56.36 22.77 Favored 'General case' 0 N--CA 1.482 1.174 0 N-CA-C 107.357 -1.349 . . . . 1.09 107.357 178.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -77.65 -4.48 46.25 Favored 'General case' 0 C--N 1.303 -1.425 0 N-CA-C 108.537 -0.912 . . . . 3.42 108.537 178.594 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.906 HD12 ' CG ' ' A' ' 36' ' ' TYR . 0.2 OUTLIER -118.79 31.15 6.8 Favored 'General case' 0 N--CA 1.487 1.398 0 O-C-N 121.549 -0.72 . . . . 2.55 109.576 -179.282 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.533 ' CB ' ' O ' ' A' ' 54' ' ' LEU . 0.6 OUTLIER 77.79 108.39 0.08 Allowed 'General case' 0 N--CA 1.495 1.808 0 O-C-N 121.15 -0.969 . . . . 4.65 109.257 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.614 ' HA ' HG23 ' A' ' 51' ' ' THR . 0.0 OUTLIER -118.28 170.36 8.96 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.959 -1.088 . . . . 4.72 111.078 -179.288 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASN . . . . . 0.523 ' CB ' ' O ' ' A' ' 56' ' ' GLU . 6.0 m-20 160.25 -96.81 0.0 OUTLIER 'General case' 0 N--CA 1.49 1.537 0 N-CA-C 108.336 -0.987 . . . . 3.48 108.336 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -131.56 45.63 2.77 Favored 'General case' 0 C--N 1.306 -1.292 0 O-C-N 120.997 -1.064 . . . . 1.95 109.126 179.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 1.037 HD12 HG23 ' A' ' 29' ' ' THR . 2.4 pt? -73.76 -152.57 0.03 OUTLIER 'General case' 0 N--CA 1.489 1.48 0 CA-C-O 121.824 0.821 . . . . 1.78 110.535 -179.347 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.6 ' N ' ' HG ' ' A' ' 59' ' ' LEU . 0.2 OUTLIER -161.22 72.03 0.41 Allowed 'General case' 0 C--N 1.295 -1.766 0 N-CA-C 106.261 -1.755 . . . . 1.02 106.261 -179.706 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.554 ' CZ ' ' O ' ' A' ' 47' ' ' PHE . 27.6 p90 -88.21 148.64 24.27 Favored 'General case' 0 C--N 1.294 -1.83 0 CA-C-O 121.977 0.894 . . . . 1.01 111.092 -176.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' TYR . . . . . 0.51 ' O ' HD12 ' A' ' 28' ' ' ILE . 12.8 t80 -124.91 109.42 12.99 Favored 'General case' 0 C--N 1.303 -1.443 0 N-CA-C 107.383 -1.34 . . . . 3.24 107.383 179.096 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.443 ' SG ' ' O ' ' A' ' 63' ' ' CYS . 30.4 p -103.45 119.47 38.95 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.964 -1.085 . . . . 1.45 111.324 -178.059 63.381 -144.835 -96.318 104.396 2.022 104.441 175.504 -171.002 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' CYS . . . . . 0.411 ' SG ' ' CE2' ' A' ' 62' ' ' TYR . 0.0 OUTLIER -96.37 168.63 10.45 Favored 'General case' 0 N--CA 1.491 1.601 0 N-CA-C 107.6 -1.259 . . . . 1.31 107.6 177.898 -5.233 147.977 34.278 104.367 2.024 104.266 153.787 81.642 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.604 ' HE3' ' CD2' ' A' ' 42' ' ' PHE . 0.0 OUTLIER -150.84 58.0 0.92 Allowed 'General case' 0 N--CA 1.489 1.489 0 O-C-N 120.929 -1.107 . . . . 3.33 109.028 179.789 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.1 tttp -143.95 -44.04 0.27 Allowed 'General case' 0 C--N 1.298 -1.66 0 CA-C-O 121.509 0.671 . . . . 2.47 109.474 -179.566 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.569 ' HB3' HD23 ' A' ' 68' ' ' LEU . 0.6 OUTLIER -174.65 -163.49 0.14 Allowed 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 108.259 -1.015 . . . . 3.09 108.259 -179.697 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . 0.816 HD12 ' CD2' ' A' ' 4' ' ' TYR . 1.7 pt? -43.37 -27.45 0.26 Allowed 'General case' 0 N--CA 1.49 1.55 0 C-N-CA 119.366 -0.933 . . . . 1.93 108.793 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' CYS . . . . . 0.447 ' SG ' ' O ' ' A' ' 68' ' ' LEU . 5.5 p 44.56 35.55 1.42 Allowed 'General case' 0 N--CA 1.494 1.774 0 CA-C-O 121.534 0.683 . . . . 1.59 110.529 177.817 81.642 153.787 34.278 104.266 2.024 104.367 147.977 -5.233 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.597 ' CB ' ' HB2' ' A' ' 4' ' ' TYR . 2.1 t30 . . . . . 0 C--N 1.296 -1.743 0 CA-C-O 117.899 -1.048 . . . . 3.68 109.715 179.099 . . . . . . . . 1 1 . 1 stop_ save_