data_2crt_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 2crt _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' ' ' LEU . . . . . 0.432 ' O ' ' HA ' ' A' ' 13' ' ' THR . 46.9 mt . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 108.842 -0.799 . . . . 3.06 108.842 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . 0.694 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.88 135.01 13.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.112 -0.992 . . . . 3.29 109.833 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.9 -154.91 0.6 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.081 -1.012 . . . . 1.08 109.652 -179.6 0.788 -113.736 -53.321 103.948 2.018 104.448 -112.207 -64.607 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.644 ' HA ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 t30 -126.39 131.05 51.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.446 -0.784 . . . . 1.79 109.483 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -98.12 -167.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.662 -1.236 . . . . 2.44 107.662 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.76 HD21 ' HG3' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -132.13 -5.11 3.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.96 -1.088 . . . . 3.16 110.982 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 1.432 ' CG1' ' HD3' ' A' ' 8' ' ' PRO . 52.6 t -98.24 -100.8 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 3.68 113.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . 1.432 ' HD3' ' CG1' ' A' ' 7' ' ' VAL . 37.9 Cg_endo -80.14 26.94 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 123.145 2.564 . . . . 3.87 116.835 -174.366 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 1.27 ' HG ' ' O ' ' A' ' 8' ' ' PRO . 1.9 mp -179.36 -137.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 119.015 -2.303 . . . . 3.44 112.598 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 15.4 m-85 -133.59 -71.25 0.51 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.998 -0.741 . . . . 3.86 108.998 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.644 ' HA ' ' HA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -110.74 -179.51 3.77 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 3.5 109.558 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.694 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -157.73 148.17 20.77 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.463 -0.94 . . . . 3.83 108.463 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.962 HG22 ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -104.55 129.55 52.6 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.178 -0.951 . . . . 1.77 109.833 -179.196 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.568 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 2.0 p -134.68 60.02 39.29 Favored Pre-proline 0 N--CA 1.487 1.425 0 N-CA-C 108.844 -0.798 . . . . 0.68 108.844 -179.889 42.112 -157.304 -32.667 103.701 2.013 103.386 -155.229 -82.569 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.962 ' HD3' HG22 ' A' ' 13' ' ' THR . 34.7 Cg_endo -76.0 -58.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.464 2.11 . . . . 1.58 110.385 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.65 -27.09 19.27 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.33 -0.856 . . . . 1.81 109.399 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.522 ' C ' ' HG2' ' A' ' 18' ' ' LYS . . . -65.98 -51.48 45.09 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.603 -1.399 . . . . 1.01 109.603 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.567 ' HD2' ' O ' ' A' ' 38' ' ' CYS . 2.8 mmtt -137.64 -141.01 0.15 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -1.218 . . . . 2.75 109.486 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ASN . . . . . 0.815 ' OD1' ' HA ' ' A' ' 40' ' ' ASP . 5.8 p30 -161.11 -21.33 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.91 109.362 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.526 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 1.1 mp -123.26 168.47 12.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 2.28 110.515 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 87.2 m -125.85 107.17 10.24 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.85 -1.167 . . . . 1.64 107.85 178.889 -64.607 -112.207 -53.321 104.448 2.018 103.948 -113.736 0.788 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' TYR . . . . . 0.82 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 8.0 p90 -109.41 161.95 14.81 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.365 1.078 . . . . 3.67 113.106 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.814 ' HG3' ' HB3' ' A' ' 36' ' ' ARG . 5.6 mtpt -116.24 163.92 15.28 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.046 -1.094 . . . . 2.61 108.046 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' MET . . . . . 0.552 ' SD ' ' HE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -147.68 93.3 2.19 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.056 -1.027 . . . . 2.73 110.311 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.73 ' HD1' ' H ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -101.72 178.86 4.51 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.556 -1.34 . . . . 3.56 109.832 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' MET . . . . . 0.521 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 17.6 mtm -125.39 138.48 54.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.518 -0.919 . . . . 3.11 108.518 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.661 ' O ' ' N ' ' A' ' 29' ' ' THR . 67.0 t -110.98 5.84 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.935 -1.103 . . . . 2.29 110.429 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 1.005 ' O ' HG22 ' A' ' 29' ' ' THR . . . -36.59 -25.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 1.57 109.248 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' THR . . . . . 1.375 ' OG1' ' CD ' ' A' ' 30' ' ' PRO . 16.1 p -175.24 -82.4 0.0 OUTLIER Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.362 -0.836 . . . . 3.58 108.879 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . 1.375 ' CD ' ' OG1' ' A' ' 29' ' ' THR . 36.9 Cg_endo -80.35 87.76 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.52 2.147 . . . . 2.16 110.757 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.953 ' O ' HG21 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -27.96 136.31 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.72 -1.238 . . . . 3.54 108.097 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.953 HG21 ' O ' ' A' ' 31' ' ' LYS . 52.5 t -157.41 131.27 4.86 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 120.685 -1.26 . . . . 2.78 110.379 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.407 ' N ' HG11 ' A' ' 32' ' ' VAL . 29.9 Cg_endo -72.32 123.26 9.02 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.702 2.268 . . . . 1.57 109.202 178.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.45 -41.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.074 -1.016 . . . . 2.33 111.175 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' MET . 2.9 mttt -144.61 136.78 26.19 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.682 -1.261 . . . . 3.7 111.372 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ARG . . . . . 0.814 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -143.5 110.06 5.49 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.602 -1.259 . . . . 3.47 107.602 177.335 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.442 ' O ' ' HA ' ' A' ' 21' ' ' CYS . . . -145.84 -141.3 3.62 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.257 -1.449 . . . . 0.65 110.719 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 13.2 m -124.77 130.57 52.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.284 -1.127 . . . . 0.86 109.351 -179.48 -82.569 -155.229 -32.667 103.386 2.013 103.701 -157.304 42.112 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.814 HD12 ' O ' ' A' ' 41' ' ' VAL . 9.8 tt -138.51 160.6 31.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.336 -0.852 . . . . 1.5 109.211 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.815 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 4.3 m-20 -98.46 4.18 48.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.381 -0.824 . . . . 2.22 108.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.814 ' O ' HD12 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -163.56 129.66 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 2.4 109.642 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -84.51 120.75 74.6 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 107.148 -1.427 . . . . 1.23 107.148 177.463 -45.022 -140.419 140.906 103.995 2.023 103.466 -174.732 18.291 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PRO . . . . . 1.35 ' C ' ' HD2' ' A' ' 44' ' ' LYS . 19.4 Cg_endo -60.96 -103.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 121.771 1.648 . . . . 3.1 110.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 1.35 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 172.5 124.3 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 121.722 0.772 . . . . 6.07 110.203 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 1.067 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -32.77 -139.16 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.424 -0.797 . . . . 2.21 109.779 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.905 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 171.58 -75.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.44 -1.413 . . . . 2.18 110.906 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.574 ' HG ' ' O ' ' A' ' 46' ' ' SER . 0.5 OUTLIER -153.9 -26.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.529 -0.732 . . . . 4.12 109.41 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.661 HD23 ' HA ' ' A' ' 28' ' ' ALA . 10.6 mt -133.55 -0.04 3.26 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.131 -0.98 . . . . 2.7 110.93 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.576 ' O ' ' HA ' ' A' ' 45' ' ' SER . 1.1 p -146.2 137.26 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.122 -1.611 . . . . 2.11 112.876 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.707 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 18.5 mttt -116.1 168.24 10.28 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.614 -1.254 . . . . 3.09 107.614 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' TYR . . . . . 1.128 ' CZ ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -141.96 137.69 31.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.914 -1.116 . . . . 3.49 109.738 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -123.75 109.42 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.897 -1.127 . . . . 1.97 110.007 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.82 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -101.01 165.59 11.24 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.198 -0.939 . . . . 0.75 110.29 179.933 18.291 -174.732 140.906 103.466 2.023 103.995 -140.419 -45.022 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -154.16 148.14 25.64 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.698 -0.852 . . . . 0.98 108.698 -179.593 -173.188 -130.956 -112.867 104.185 2.022 104.537 138.816 49.129 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 17.6 t30 -132.1 46.59 2.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 1.57 108.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . 0.832 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 2.5 m -117.75 -28.06 6.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.485 -0.759 . . . . 1.9 109.305 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ASP . . . . . 0.832 ' CB ' ' O ' ' A' ' 56' ' ' THR . 5.2 t0 104.61 111.79 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.036 -1.04 . . . . 1.78 111.13 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.674 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttt180 81.11 -18.91 0.46 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.327 -0.858 . . . . 4.35 109.664 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.0 p -68.06 7.37 0.56 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.029 -1.045 . . . . 1.07 109.636 179.515 49.129 138.816 -112.867 104.537 2.022 104.185 -130.956 -173.188 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 21' ' ' CYS . 43.5 t-20 . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 2.55 109.447 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 13' ' ' THR . 46.9 mt . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 108.842 -0.799 . . . . 2.5699999999999998 108.842 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.88 135.01 13.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.112 -0.992 . . . . 2.7599999999999998 109.833 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.9 -154.91 0.6 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.081 -1.012 . . . . 1.05 109.652 -179.6 0.788 -113.736 -53.321 103.948 2.018 104.448 -112.207 -64.607 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HA ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 t30 -126.39 131.05 51.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.446 -0.784 . . . . 1.79 109.483 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -98.12 -167.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.662 -1.236 . . . . 1.9099999999999999 107.662 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -132.13 -5.11 3.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.96 -1.088 . . . . 2.5600000000000001 110.982 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 1.419 ' CG1' ' HD3' ' A' ' 8' ' ' PRO . 52.6 t -98.24 -100.8 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 3.1899999999999999 113.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 1.419 ' HD3' ' CG1' ' A' ' 7' ' ' VAL . 37.9 Cg_endo -80.14 26.94 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 123.145 2.564 . . . . 3.2000000000000002 116.835 -174.366 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 1.274 ' HG ' ' O ' ' A' ' 8' ' ' PRO . 1.9 mp -179.36 -137.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 119.015 -2.303 . . . . 2.8700000000000001 112.598 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 15.4 m-85 -133.59 -71.25 0.51 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.998 -0.741 . . . . 3.1800000000000002 108.998 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -110.74 -179.51 3.77 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 3.1200000000000001 109.558 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -157.73 148.17 20.77 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.463 -0.94 . . . . 3.2200000000000002 108.463 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . 1.06 HG23 ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -104.55 129.55 52.6 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.178 -0.951 . . . . 1.5 109.833 -179.196 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 2.0 p -134.68 60.02 39.29 Favored Pre-proline 0 N--CA 1.487 1.425 0 N-CA-C 108.844 -0.798 . . . . 0.68000000000000005 108.844 -179.889 42.112 -157.304 -32.667 103.701 2.013 103.386 -155.229 -82.569 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 1.06 ' HD3' HG23 ' A' ' 13' ' ' THR . 34.7 Cg_endo -76.0 -58.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.464 2.11 . . . . 1.5800000000000001 110.385 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.65 -27.09 19.27 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.33 -0.856 . . . . 1.24 109.399 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' HG2' ' A' ' 18' ' ' LYS . . . -65.98 -51.48 45.09 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.603 -1.399 . . . . 0.80000000000000004 109.603 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 38' ' ' CYS . 2.8 mmtt -137.64 -141.01 0.15 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -1.218 . . . . 2.1200000000000001 109.486 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ASN . . . . . 0.817 ' OD1' ' HA ' ' A' ' 40' ' ' ASP . 5.8 p30 -161.11 -21.33 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.6599999999999999 109.362 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 1.1 mp -123.26 168.47 12.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 1.6799999999999999 110.515 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.524 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 87.2 m -125.85 107.17 10.24 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.85 -1.167 . . . . 1.6399999999999999 107.85 178.889 -64.607 -112.207 -53.321 104.448 2.018 103.948 -113.736 0.788 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 8.0 p90 -109.41 161.95 14.81 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.365 1.078 . . . . 3.4700000000000002 113.106 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.834 ' HG3' ' HB3' ' A' ' 36' ' ' ARG . 5.6 mtpt -116.24 163.92 15.28 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.046 -1.094 . . . . 2.2400000000000002 108.046 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' MET . . . . . 0.552 ' SD ' ' HE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -147.68 93.3 2.19 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.056 -1.027 . . . . 2.1699999999999999 110.311 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.822 ' HD1' ' H ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -101.72 178.86 4.51 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.556 -1.34 . . . . 2.7799999999999998 109.832 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' MET . . . . . 0.535 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 17.6 mtm -125.39 138.48 54.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.518 -0.919 . . . . 2.5099999999999998 108.518 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.697 ' O ' HG12 ' A' ' 27' ' ' VAL . 67.0 t -110.98 5.84 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.935 -1.103 . . . . 1.72 110.429 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 1.154 ' O ' HG23 ' A' ' 29' ' ' THR . . . -36.59 -25.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 1.5700000000000001 109.248 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' THR . . . . . 1.375 ' OG1' ' CD ' ' A' ' 30' ' ' PRO . 16.1 p -175.24 -82.4 0.0 OUTLIER Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.362 -0.836 . . . . 3.0699999999999998 108.879 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . 1.375 ' CD ' ' OG1' ' A' ' 29' ' ' THR . 36.9 Cg_endo -80.35 87.76 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.52 2.147 . . . . 1.8500000000000001 110.757 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.685 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -27.96 136.31 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.72 -1.238 . . . . 3.1099999999999999 108.097 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 1.076 HG23 ' O ' ' A' ' 30' ' ' PRO . 52.5 t -157.41 131.27 4.86 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 120.685 -1.26 . . . . 2.2400000000000002 110.379 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.32 123.26 9.02 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.702 2.268 . . . . 1.3400000000000001 109.202 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.45 -41.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.074 -1.016 . . . . 1.7 111.175 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' MET . 2.9 mttt -144.61 136.78 26.19 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.682 -1.261 . . . . 3.0800000000000001 111.372 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ARG . . . . . 0.834 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -143.5 110.06 5.49 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.602 -1.259 . . . . 2.8999999999999999 107.602 177.335 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 21' ' ' CYS . . . -145.84 -141.3 3.62 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.257 -1.449 . . . . 0.55000000000000004 110.719 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 13.2 m -124.77 130.57 52.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.284 -1.127 . . . . 0.85999999999999999 109.351 -179.48 -82.569 -155.229 -32.667 103.386 2.013 103.701 -157.304 42.112 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 9.8 tt -138.51 160.6 31.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.336 -0.852 . . . . 1.0 109.211 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.817 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 4.3 m-20 -98.46 4.18 48.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.381 -0.824 . . . . 2.2200000000000002 108.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -163.56 129.66 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 1.8700000000000001 109.642 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -84.51 120.75 74.6 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 107.148 -1.427 . . . . 1.23 107.148 177.463 -45.022 -140.419 140.906 103.995 2.023 103.466 -174.732 18.291 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PRO . . . . . 1.362 ' C ' ' HD2' ' A' ' 44' ' ' LYS . 19.4 Cg_endo -60.96 -103.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 121.771 1.648 . . . . 2.5299999999999998 110.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 1.362 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 172.5 124.3 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 121.722 0.772 . . . . 5.6399999999999997 110.203 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 1.067 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -32.77 -139.16 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.424 -0.797 . . . . 1.8999999999999999 109.779 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.905 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 171.58 -75.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.44 -1.413 . . . . 2.1800000000000002 110.906 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -153.9 -26.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.529 -0.732 . . . . 3.5 109.41 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 28' ' ' ALA . 10.6 mt -133.55 -0.04 3.26 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.131 -0.98 . . . . 2.1099999999999999 110.93 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 45' ' ' SER . 1.1 p -146.2 137.26 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.122 -1.611 . . . . 1.3799999999999999 112.876 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.739 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 18.5 mttt -116.1 168.24 10.28 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.614 -1.254 . . . . 2.6499999999999999 107.614 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' TYR . . . . . 1.12 ' CZ ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -141.96 137.69 31.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.914 -1.116 . . . . 2.9900000000000002 109.738 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -123.75 109.42 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.897 -1.127 . . . . 1.3400000000000001 110.007 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.844 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -101.01 165.59 11.24 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.198 -0.939 . . . . 0.62 110.29 179.933 18.291 -174.732 140.906 103.466 2.023 103.995 -140.419 -45.022 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -154.16 148.14 25.64 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.698 -0.852 . . . . 0.94999999999999996 108.698 -179.593 -173.188 -130.956 -112.867 104.185 2.022 104.537 138.816 49.129 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 17.6 t30 -132.1 46.59 2.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 1.49 108.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . 0.832 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 2.5 m -117.75 -28.06 6.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.485 -0.759 . . . . 1.3100000000000001 109.305 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ASP . . . . . 0.832 ' CB ' ' O ' ' A' ' 56' ' ' THR . 5.2 t0 104.61 111.79 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.036 -1.04 . . . . 1.78 111.13 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttt180 81.11 -18.91 0.46 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.327 -0.858 . . . . 3.8199999999999998 109.664 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.0 p -68.06 7.37 0.56 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.029 -1.045 . . . . 1.05 109.636 179.515 49.129 138.816 -112.867 104.537 2.022 104.185 -130.956 -173.188 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASN . . . . . 0.479 ' OXT' ' ND2' ' A' ' 60' ' ' ASN . 0.3 OUTLIER . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 2.48 109.447 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.442 ' O ' ' HA ' ' A' ' 13' ' ' THR . 46.9 mt . . . . . 0 N--CA 1.484 1.275 0 N-CA-C 108.842 -0.799 . . . . 2.57 108.842 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . 0.705 ' HA ' ' O ' ' A' ' 12' ' ' LYS . 0.0 OUTLIER -154.88 135.01 13.09 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.112 -0.992 . . . . 2.76 109.833 179.686 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 38' ' ' CYS . 0.0 OUTLIER -119.9 -154.91 0.6 Allowed 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.081 -1.012 . . . . 1.05 109.652 -179.6 0.788 -113.736 -53.321 103.948 2.018 104.448 -112.207 -64.607 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.679 ' HA ' ' HA ' ' A' ' 11' ' ' TYR . 1.5 t30 -126.39 131.05 51.84 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 121.446 -0.784 . . . . 1.79 109.483 179.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LYS . . . . . . . . . . . . . 1.9 tttt -98.12 -167.31 1.49 Allowed 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.662 -1.236 . . . . 1.91 107.662 178.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.648 ' CD2' ' HG3' ' A' ' 36' ' ' ARG . 0.7 OUTLIER -132.13 -5.11 3.47 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.96 -1.088 . . . . 2.56 110.982 -178.183 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 1.419 ' CG1' ' HD3' ' A' ' 8' ' ' PRO . 52.6 t -98.24 -100.8 0.0 OUTLIER Pre-proline 0 N--CA 1.493 1.716 0 O-C-N 121.061 -1.025 . . . . 3.19 113.534 -176.744 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 1.419 ' HD3' ' CG1' ' A' ' 7' ' ' VAL . 37.9 Cg_endo -80.14 26.94 0.56 Allowed 'Trans proline' 0 N--CA 1.49 1.305 0 C-N-CA 123.145 2.564 . . . . 3.2 116.835 -174.366 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 1.274 ' HG ' ' O ' ' A' ' 8' ' ' PRO . 1.9 mp -179.36 -137.03 0.01 OUTLIER 'General case' 0 N--CA 1.501 2.125 0 O-C-N 119.015 -2.303 . . . . 2.87 112.598 178.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . 0.606 ' CD1' ' O ' ' A' ' 9' ' ' LEU . 15.4 m-85 -133.59 -71.25 0.51 Allowed 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 108.998 -0.741 . . . . 3.18 108.998 -178.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.679 ' HA ' ' HA ' ' A' ' 4' ' ' ASN . 0.1 OUTLIER -110.74 -179.51 3.77 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.233 -0.917 . . . . 3.12 109.558 179.646 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.705 ' O ' ' HA ' ' A' ' 2' ' ' LYS . 0.5 OUTLIER -157.73 148.17 20.77 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 108.463 -0.94 . . . . 3.22 108.463 178.109 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 1.06 HG23 ' HD3' ' A' ' 15' ' ' PRO . 0.3 OUTLIER -104.55 129.55 52.6 Favored 'General case' 0 N--CA 1.489 1.475 0 O-C-N 121.178 -0.951 . . . . 1.5 109.833 -179.196 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.575 ' N ' ' HD3' ' A' ' 15' ' ' PRO . 2.0 p -134.68 60.02 39.29 Favored Pre-proline 0 N--CA 1.487 1.425 0 N-CA-C 108.844 -0.798 . . . . 0.68 108.844 -179.889 42.112 -157.304 -32.667 103.701 2.013 103.386 -155.229 -82.569 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 1.06 ' HD3' HG23 ' A' ' 13' ' ' THR . 34.7 Cg_endo -76.0 -58.76 0.04 OUTLIER 'Trans proline' 0 C--N 1.302 -1.876 0 C-N-CA 122.464 2.11 . . . . 1.58 110.385 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -90.65 -27.09 19.27 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.33 -0.856 . . . . 1.24 109.399 179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.515 ' C ' ' HG2' ' A' ' 18' ' ' LYS . . . -65.98 -51.48 45.09 Favored Glycine 0 N--CA 1.491 2.31 0 N-CA-C 109.603 -1.399 . . . . 0.8 109.603 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.569 ' HD2' ' O ' ' A' ' 38' ' ' CYS . 2.8 mmtt -137.64 -141.01 0.15 Allowed 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.129 -1.218 . . . . 2.12 109.486 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ASN . . . . . 0.817 ' OD1' ' HA ' ' A' ' 40' ' ' ASP . 5.8 p30 -161.11 -21.33 0.05 Allowed 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.262 -0.899 . . . . 1.66 109.362 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.541 ' O ' ' HA ' ' A' ' 38' ' ' CYS . 1.1 mp -123.26 168.47 12.42 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.186 -0.947 . . . . 1.68 110.515 -179.618 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.562 ' O ' ' ND2' ' A' ' 60' ' ' ASN . 87.2 m -125.85 107.17 10.24 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 107.85 -1.167 . . . . 1.64 107.85 178.889 -64.607 -112.207 -53.321 104.448 2.018 103.948 -113.736 0.788 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' TYR . . . . . 0.844 ' HA ' ' HA ' ' A' ' 53' ' ' CYS . 8.0 p90 -109.41 161.95 14.81 Favored 'General case' 0 N--CA 1.495 1.805 0 CA-C-O 122.365 1.078 . . . . 3.47 113.106 -177.216 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.834 ' HG3' ' HB3' ' A' ' 36' ' ' ARG . 5.6 mtpt -116.24 163.92 15.28 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 108.046 -1.094 . . . . 2.24 108.046 179.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' MET . . . . . 0.552 ' SD ' ' HE2' ' A' ' 22' ' ' TYR . 0.5 OUTLIER -147.68 93.3 2.19 Favored 'General case' 0 N--CA 1.497 1.884 0 O-C-N 121.056 -1.027 . . . . 2.17 110.311 -179.334 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.822 ' HD1' ' H ' ' A' ' 25' ' ' PHE . 0.0 OUTLIER -101.72 178.86 4.51 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.556 -1.34 . . . . 2.78 109.832 178.72 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' MET . . . . . 0.535 ' HA ' ' O ' ' A' ' 48' ' ' LEU . 17.6 mtm -125.39 138.48 54.04 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 108.518 -0.919 . . . . 2.51 108.518 179.184 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.697 ' O ' HG12 ' A' ' 27' ' ' VAL . 67.0 t -110.98 5.84 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 120.935 -1.103 . . . . 1.72 110.429 -179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 1.154 ' O ' HG23 ' A' ' 29' ' ' THR . . . -36.59 -25.83 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.043 -1.036 . . . . 1.57 109.248 179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' THR . . . . . 1.375 ' OG1' ' CD ' ' A' ' 30' ' ' PRO . 16.1 p -175.24 -82.4 0.0 OUTLIER Pre-proline 0 C--N 1.303 -1.445 0 O-C-N 121.362 -0.836 . . . . 3.07 108.879 -179.806 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . 1.375 ' CD ' ' OG1' ' A' ' 29' ' ' THR . 36.9 Cg_endo -80.35 87.76 1.48 Allowed 'Trans proline' 0 C--N 1.306 -1.66 0 C-N-CA 122.52 2.147 . . . . 1.85 110.757 179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.685 ' C ' ' O ' ' A' ' 30' ' ' PRO . 0.0 OUTLIER -27.96 136.31 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.0 0 O-C-N 120.72 -1.238 . . . . 3.11 108.097 179.829 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 1.076 HG23 ' O ' ' A' ' 30' ' ' PRO . 52.5 t -157.41 131.27 4.86 Favored Pre-proline 0 N--CA 1.495 1.801 0 O-C-N 120.685 -1.26 . . . . 2.24 110.379 -179.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 29.9 Cg_endo -72.32 123.26 9.02 Favored 'Trans proline' 0 C--N 1.305 -1.737 0 C-N-CA 122.702 2.268 . . . . 1.34 109.202 178.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 3.6 t -113.45 -41.95 3.86 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.499 0 O-C-N 121.074 -1.016 . . . . 1.7 111.175 -178.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.486 ' O ' ' N ' ' A' ' 24' ' ' MET . 2.9 mttt -144.61 136.78 26.19 Favored 'General case' 0 N--CA 1.5 2.065 0 O-C-N 120.682 -1.261 . . . . 3.08 111.372 -179.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ARG . . . . . 0.834 ' HB3' ' HG3' ' A' ' 23' ' ' LYS . 0.0 OUTLIER -143.5 110.06 5.49 Favored 'General case' 0 N--CA 1.498 1.948 0 N-CA-C 107.602 -1.259 . . . . 2.9 107.602 177.335 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.467 ' O ' ' HA ' ' A' ' 21' ' ' CYS . . . -145.84 -141.3 3.62 Favored Glycine 0 N--CA 1.493 2.451 0 C-N-CA 119.257 -1.449 . . . . 0.55 110.719 -178.731 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.768 ' SG ' ' SG ' ' A' ' 3' ' ' CYS . 13.2 m -124.77 130.57 52.66 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.284 -1.127 . . . . 0.86 109.351 -179.48 -82.569 -155.229 -32.667 103.386 2.013 103.701 -157.304 42.112 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.744 HD13 ' O ' ' A' ' 41' ' ' VAL . 9.8 tt -138.51 160.6 31.23 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.516 0 O-C-N 121.336 -0.852 . . . . 1.0 109.211 -179.129 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.817 ' HA ' ' OD1' ' A' ' 19' ' ' ASN . 4.3 m-20 -98.46 4.18 48.35 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.381 -0.824 . . . . 2.22 108.975 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.744 ' O ' HD13 ' A' ' 39' ' ' ILE . 0.9 OUTLIER -163.56 129.66 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.615 0 O-C-N 121.42 -0.8 . . . . 1.87 109.642 178.242 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 10.4 m -84.51 120.75 74.6 Favored Pre-proline 0 C--N 1.301 -1.532 0 N-CA-C 107.148 -1.427 . . . . 1.23 107.148 177.463 -45.022 -140.419 140.906 103.995 2.023 103.466 -174.732 18.291 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PRO . . . . . 1.362 ' C ' ' HD2' ' A' ' 44' ' ' LYS . 19.4 Cg_endo -60.96 -103.31 0.0 OUTLIER 'Trans proline' 0 C--N 1.304 -1.77 0 C-N-CA 121.771 1.648 . . . . 2.53 110.341 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 1.362 ' HD2' ' C ' ' A' ' 43' ' ' PRO . 0.0 OUTLIER 172.5 124.3 0.02 OUTLIER 'General case' 0 C--N 1.282 -2.333 0 CA-C-O 121.722 0.772 . . . . 5.64 110.203 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 1.067 ' O ' ' O ' ' A' ' 44' ' ' LYS . 0.1 OUTLIER -32.77 -139.16 0.0 OUTLIER 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.424 -0.797 . . . . 1.9 109.779 -178.891 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.905 ' N ' ' OG ' ' A' ' 45' ' ' SER . 0.1 OUTLIER 171.58 -75.59 0.0 OUTLIER 'General case' 0 N--CA 1.496 1.874 0 O-C-N 120.44 -1.413 . . . . 2.18 110.906 -179.678 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.615 ' O ' HD23 ' A' ' 48' ' ' LEU . 0.5 OUTLIER -153.9 -26.06 0.13 Allowed 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.529 -0.732 . . . . 3.5 109.41 -179.7 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.647 HD22 ' HA ' ' A' ' 28' ' ' ALA . 10.6 mt -133.55 -0.04 3.26 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.131 -0.98 . . . . 2.11 110.93 -179.442 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.575 ' O ' ' HA ' ' A' ' 45' ' ' SER . 1.1 p -146.2 137.26 18.85 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.996 0 O-C-N 120.122 -1.611 . . . . 1.38 112.876 -178.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.739 ' HA ' ' HB2' ' A' ' 45' ' ' SER . 18.5 mttt -116.1 168.24 10.28 Favored 'General case' 0 N--CA 1.493 1.683 0 N-CA-C 107.614 -1.254 . . . . 2.65 107.614 177.725 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' TYR . . . . . 1.12 ' CZ ' ' HA ' ' A' ' 44' ' ' LYS . 0.0 OUTLIER -141.96 137.69 31.42 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.914 -1.116 . . . . 2.99 109.738 -179.894 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 86.2 t -123.75 109.42 23.09 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 O-C-N 120.897 -1.127 . . . . 1.34 110.007 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.844 ' HA ' ' HA ' ' A' ' 22' ' ' TYR . 0.1 OUTLIER -101.01 165.59 11.24 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.198 -0.939 . . . . 0.62 110.29 179.933 18.291 -174.732 140.906 103.466 2.023 103.995 -140.419 -45.022 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' CYS . . . . . . . . . . . . . 46.5 t -154.16 148.14 25.64 Favored 'General case' 0 N--CA 1.49 1.531 0 N-CA-C 108.698 -0.852 . . . . 0.95 108.698 -179.593 -173.188 -130.956 -112.867 104.185 2.022 104.537 138.816 49.129 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.475 ' OD1' ' O ' ' A' ' 19' ' ' ASN . 17.6 t30 -132.1 46.59 2.62 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.279 -0.888 . . . . 1.49 108.929 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . 0.832 ' O ' ' CB ' ' A' ' 57' ' ' ASP . 2.5 m -117.75 -28.06 6.08 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.485 -0.759 . . . . 1.31 109.305 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ASP . . . . . 0.832 ' CB ' ' O ' ' A' ' 56' ' ' THR . 5.2 t0 104.61 111.79 0.01 OUTLIER 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.036 -1.04 . . . . 1.78 111.13 178.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.68 ' HB3' ' O ' ' A' ' 57' ' ' ASP . 2.9 ttt180 81.11 -18.91 0.46 Allowed 'General case' 0 N--CA 1.499 2.007 0 O-C-N 121.327 -0.858 . . . . 3.82 109.664 179.231 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' CYS . . . . . . . . . . . . . 7.0 p -68.06 7.37 0.56 Allowed 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.029 -1.045 . . . . 1.05 109.636 179.515 49.129 138.816 -112.867 104.537 2.022 104.185 -130.956 -173.188 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASN . . . . . 0.562 ' ND2' ' O ' ' A' ' 21' ' ' CYS . 43.5 t-20 . . . . . 0 N--CA 1.493 1.709 0 O-C-N 121.017 -1.052 . . . . 2.48 109.447 179.829 . . . . . . . . 1 1 . 1 stop_ save_