data_1gxg_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 1gxg _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' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.387 0.137 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.79 35.24 0.24 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.248 2.219 . . . . 0.0 113.964 -175.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.402 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 72.1 mt -67.13 -178.06 0.75 Allowed 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.713 2.405 . . . . 0.0 111.896 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 10.3 mttm -36.16 117.42 0.46 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.409 1.884 . . . . 0.0 109.946 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -74.87 0.42 15.66 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.953 -161.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -151.26 156.48 40.93 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.555 -1.341 . . . . 0.0 112.579 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.81 -39.79 32.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 125.618 1.567 . . . . 0.0 111.179 172.108 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -74.87 -8.45 56.5 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 120.793 -1.192 . . . . 0.0 112.161 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -87.71 -24.89 23.72 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 120.055 1.298 . . . . 0.0 111.95 162.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.405 ' HH ' ' CD2' ' A' ' 38' ' ' HIS . 34.1 m-85 -63.28 161.79 13.25 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 123.075 1.417 . . . . 0.0 107.944 165.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -111.82 166.94 10.76 Favored 'General case' 0 N--CA 1.43 -1.474 1 C-N-CA 132.291 4.236 . . . . 0.0 103.478 161.741 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -34.42 72.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.168 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -34.59 20.97 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 111.259 -170.168 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.38 -41.07 98.35 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.482 -1.386 . . . . 0.0 109.553 170.283 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.26 -40.69 96.51 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.204 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -48.63 -53.65 17.75 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 114.723 -2.56 . . . . 0.0 109.193 169.408 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -33.86 68.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 123.921 3.055 . . . . 0.0 112.766 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -47.4 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.926 1.693 . . . . 0.0 111.611 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 13.6 mm -69.02 -31.97 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 125.308 1.443 . . . . 0.0 110.771 -175.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.34 -39.81 52.93 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 127.963 2.505 . . . . 0.0 110.036 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.449 ' CG ' ' HZ2' ' A' ' 31' ' ' LYS . 10.0 t70 -43.03 -53.53 4.77 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.818 1.647 . . . . 0.0 109.503 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ILE . . . . . . . . . . . . . 3.8 pt -69.76 -57.36 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 126.485 1.914 . . . . 0.0 112.437 -178.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.2 mt -51.65 -40.04 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 124.157 0.911 . . . . 0.0 111.791 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.274 18.0 m-80 -69.85 -54.46 13.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.05 1.74 . . . . 0.0 109.695 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 t 87.34 72.81 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 131.249 3.82 . . . . 0.0 107.892 -171.17 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.62 53.93 0.11 Allowed 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 127.862 2.465 . . . . 0.0 109.581 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.59 -152.38 18.61 Favored Glycine 0 CA--C 1.523 0.532 0 O-C-N 120.259 -1.526 . . . . 0.0 114.771 -159.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.9 37.86 0.81 Allowed 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 110.044 -158.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 79.41 -47.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.411 3.484 . . . . 0.0 108.478 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -65.99 -37.71 86.66 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 129.879 3.272 . . . . 0.0 110.775 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.449 ' HZ2' ' CG ' ' A' ' 21' ' ' ASP . 1.3 tmtp? -62.42 -41.07 98.42 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.484 1.913 . . . . 0.0 110.86 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLN . . . . . . . . . . . . . 31.1 mt-30 -64.07 -45.75 87.36 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 117.039 -1.457 . . . . 0.0 109.904 171.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.55 -42.0 77.8 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.769 1.168 . . . . 0.0 112.094 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.73 -40.91 88.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.574 1.15 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -57.0 -45.31 83.08 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.34 161.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 10.7 mt -70.07 -34.87 73.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 120.237 1.381 . . . . 0.0 111.86 -160.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.66 -54.77 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 162.402 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.405 ' CD2' ' HH ' ' A' ' 10' ' ' TYR . 48.2 t60 -58.03 -42.71 85.92 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -63.29 -21.47 66.27 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 128.413 2.685 . . . . 0.0 113.327 174.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -75.63 -51.9 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 120.378 1.445 . . . . 0.0 107.683 159.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -62.47 1.69 Allowed 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 126.462 1.905 . . . . 0.0 113.508 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' VAL . . . . . . . . . . . . . 4.9 m -62.86 -35.91 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.638 0 C-N-CA 124.787 1.235 . . . . 0.0 111.191 179.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -81.37 -39.41 25.1 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 126.324 1.85 . . . . 0.0 112.492 -163.753 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 65.53 -0.28 1.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 110.567 -167.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -73.89 110.42 9.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.214 1.406 . . . . 0.0 107.492 -169.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . 0.406 ' CD ' ' CZ2' ' A' ' 73' ' ' TRP . 11.2 Cg_endo -60.57 -32.55 93.59 Favored 'Trans proline' 0 C--N 1.346 0.442 1 C-N-CA 125.397 4.065 . . . . 0.0 114.738 -161.052 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -54.9 -37.96 66.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.165 0.986 . . . . 0.0 112.849 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.72 -129.53 21.56 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -10.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 127.399 2.28 . . . . 0.0 115.396 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.22 71.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.23 1.377 . . . . 0.0 111.918 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mp -70.05 -8.98 53.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.514 -1.366 . . . . 0.0 113.194 172.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 7.8 mt -117.36 -39.7 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.256 1.422 . . . . 0.0 109.195 -166.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.8 -21.03 12.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.18 1.392 . . . . 0.0 112.391 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -125.94 37.61 0.38 Allowed Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 119.564 1.074 . . . . 0.0 111.593 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -63.44 157.96 47.84 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.337 2.025 . . . . 0.0 112.264 -166.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -164.08 0.9 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.785 2.034 . . . . 0.0 109.889 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.76 0.64 65.11 Favored Glycine 0 C--N 1.329 0.175 0 N-CA-C 117.02 1.568 . . . . 0.0 117.02 -164.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -18.4 58.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 158.796 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.84 132.64 35.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.815 0.446 . . . . 0.0 110.394 -158.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -89.94 -3.57 57.97 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.754 0.821 . . . . 0.0 110.893 174.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.53 2.56 21.87 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 126.022 1.773 . . . . 0.0 113.544 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.42 177.94 1.7 Allowed Pre-proline 0 N--CA 1.427 -1.577 0 C-N-CA 126.104 1.762 . . . . 0.0 108.706 175.268 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -65.26 -11.6 30.91 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 120.458 0.772 . . . . 0.0 112.182 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -72.63 -60.78 2.06 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.828 -1.17 . . . . 0.0 110.389 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ALA . . . . . . . . . . . . . . . -60.48 -28.41 68.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.851 -174.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.02 -44.51 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.073 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ILE . . . . . . . . . . . . . 1.2 mp -58.63 -42.73 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 O-C-N 120.192 -1.567 . . . . 0.0 111.033 -178.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -52.29 -63.3 1.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 126.225 2.203 . . . . 0.0 108.213 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -22.04 64.3 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 121.165 1.802 . . . . 0.0 112.439 -175.435 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.27 -54.5 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 O-C-N 119.53 -1.981 . . . . 0.0 105.885 177.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -43.04 -55.37 3.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 120.712 1.596 . . . . 0.0 110.138 166.527 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -41.97 24.23 Favored 'General case' 0 N--CA 1.419 -1.985 0 O-C-N 124.853 1.345 . . . . 0.0 110.639 -158.528 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TRP . . . . . 0.406 ' CZ2' ' CD ' ' A' ' 46' ' ' PRO . 82.3 t90 -53.06 -52.02 59.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.022 164.6 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -62.63 -50.12 72.51 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 120.129 1.331 . . . . 0.0 108.583 -173.386 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.45 92.44 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.039 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.98 98.21 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.446 1.021 . . . . 0.0 110.071 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.57 -5.17 22.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.289 1.036 . . . . 0.0 113.375 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.4 15.17 69.46 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.144 1.354 . . . . 0.0 114.554 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -108.08 163.17 13.38 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.912 2.085 . . . . 0.0 110.55 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 p -67.24 126.5 29.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 110.006 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.33 -161.01 8.96 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 158.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -171.97 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 123.236 1.493 . . . . 0.0 110.622 172.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -38.13 156.84 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 127.262 2.225 . . . . 0.0 111.985 163.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 44.57 0.13 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.855 2.062 . . . . 0.0 113.951 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 1 N-CA-C 101.445 -4.662 . . . . 0.0 101.445 159.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.387 0.137 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.79 35.24 0.24 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.248 2.219 . . . . 0.0 113.964 -175.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 72.1 mt -67.13 -178.06 0.75 Allowed 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.713 2.405 . . . . 0.0 111.896 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 10.3 mttm -36.16 117.42 0.46 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.409 1.884 . . . . 0.0 109.946 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -74.87 0.42 15.66 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.953 -161.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -151.26 156.48 40.93 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.555 -1.341 . . . . 0.0 112.579 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -52.81 -39.79 32.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 125.618 1.567 . . . . 0.0 111.179 172.108 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -74.87 -8.45 56.5 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 120.793 -1.192 . . . . 0.0 112.161 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -87.71 -24.89 23.72 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 120.055 1.298 . . . . 0.0 111.95 162.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 4' ' ' LYS . 34.1 m-85 -63.28 161.79 13.25 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 123.075 1.417 . . . . 0.0 107.944 165.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -111.82 166.94 10.76 Favored 'General case' 0 N--CA 1.43 -1.474 1 C-N-CA 132.291 4.236 . . . . 0.0 103.478 161.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -34.42 72.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.168 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -34.59 20.97 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 111.259 -170.168 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.38 -41.07 98.35 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.482 -1.386 . . . . 0.0 109.553 170.283 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.26 -40.69 96.51 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.204 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HE2' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -48.63 -53.65 17.75 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 114.723 -2.56 . . . . 0.0 109.193 169.408 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -33.86 68.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 123.921 3.055 . . . . 0.0 112.766 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -47.4 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.926 1.693 . . . . 0.0 111.611 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.406 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.6 mm -69.02 -31.97 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 125.308 1.443 . . . . 0.0 110.771 -175.085 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.34 -39.81 52.93 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 127.963 2.505 . . . . 0.0 110.036 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 10.0 t70 -43.03 -53.53 4.77 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.818 1.647 . . . . 0.0 109.503 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 32' ' ' GLN . 3.8 pt -69.76 -57.36 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 126.485 1.914 . . . . 0.0 112.437 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.2 mt -51.65 -40.04 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 124.157 0.911 . . . . 0.0 111.791 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.274 18.0 m-80 -69.85 -54.46 13.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.05 1.74 . . . . 0.0 109.695 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 t 87.34 72.81 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 131.249 3.82 . . . . 0.0 107.892 -171.17 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.62 53.93 0.11 Allowed 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 127.862 2.465 . . . . 0.0 109.581 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.59 -152.38 18.61 Favored Glycine 0 CA--C 1.523 0.532 0 O-C-N 120.259 -1.526 . . . . 0.0 114.771 -159.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.9 37.86 0.81 Allowed 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 110.044 -158.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 79.41 -47.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.411 3.484 . . . . 0.0 108.478 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -65.99 -37.71 86.66 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 129.879 3.272 . . . . 0.0 110.775 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 1.3 tmtp? -62.42 -41.07 98.42 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.484 1.913 . . . . 0.0 110.86 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLN . . . . . 0.582 ' HA ' HG22 ' A' ' 22' ' ' ILE . 31.1 mt-30 -64.07 -45.75 87.36 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 117.039 -1.457 . . . . 0.0 109.904 171.705 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.55 -42.0 77.8 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.769 1.168 . . . . 0.0 112.094 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.73 -40.91 88.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.574 1.15 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . 0.452 ' ND2' HD13 ' A' ' 22' ' ' ILE . 1.4 t30 -57.0 -45.31 83.08 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.34 161.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 36' ' ' LEU . 10.7 mt -70.07 -34.87 73.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 120.237 1.381 . . . . 0.0 111.86 -160.742 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.66 -54.77 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 162.402 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 48.2 t60 -58.03 -42.71 85.92 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 52' ' ' ILE . 38.3 t80 -63.29 -21.47 66.27 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 128.413 2.685 . . . . 0.0 113.327 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -75.63 -51.9 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 120.378 1.445 . . . . 0.0 107.683 159.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -62.47 1.69 Allowed 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 126.462 1.905 . . . . 0.0 113.508 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 7' ' ' ILE . 4.9 m -62.86 -35.91 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.638 0 C-N-CA 124.787 1.235 . . . . 0.0 111.191 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.431 ' HA ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.37 -39.41 25.1 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 126.324 1.85 . . . . 0.0 112.492 -163.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 65.53 -0.28 1.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 110.567 -167.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -73.89 110.42 9.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.214 1.406 . . . . 0.0 107.492 -169.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 73' ' ' TRP . 11.2 Cg_endo -60.57 -32.55 93.59 Favored 'Trans proline' 0 C--N 1.346 0.442 1 C-N-CA 125.397 4.065 . . . . 0.0 114.738 -161.052 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -54.9 -37.96 66.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.165 0.986 . . . . 0.0 112.849 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.72 -129.53 21.56 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -10.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 127.399 2.28 . . . . 0.0 115.396 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.22 71.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.23 1.377 . . . . 0.0 111.918 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mp -70.05 -8.98 53.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.514 -1.366 . . . . 0.0 113.194 172.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD12 ' CE2' ' A' ' 39' ' ' PHE . 7.8 mt -117.36 -39.7 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.256 1.422 . . . . 0.0 109.195 -166.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.8 -21.03 12.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.18 1.392 . . . . 0.0 112.391 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -125.94 37.61 0.38 Allowed Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 119.564 1.074 . . . . 0.0 111.593 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -63.44 157.96 47.84 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.337 2.025 . . . . 0.0 112.264 -166.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -164.08 0.9 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.785 2.034 . . . . 0.0 109.889 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.76 0.64 65.11 Favored Glycine 0 C--N 1.329 0.175 0 N-CA-C 117.02 1.568 . . . . 0.0 117.02 -164.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -18.4 58.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 158.796 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.84 132.64 35.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.815 0.446 . . . . 0.0 110.394 -158.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' H ' ' CB ' ' A' ' 65' ' ' ALA . 1.2 p-10 -89.94 -3.57 57.97 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.754 0.821 . . . . 0.0 110.893 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.53 2.56 21.87 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 126.022 1.773 . . . . 0.0 113.544 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.42 177.94 1.7 Allowed Pre-proline 0 N--CA 1.427 -1.577 0 C-N-CA 126.104 1.762 . . . . 0.0 108.706 175.268 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -65.26 -11.6 30.91 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 120.458 0.772 . . . . 0.0 112.182 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -72.63 -60.78 2.06 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.828 -1.17 . . . . 0.0 110.389 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' ' H ' ' A' ' 60' ' ' ASP . . . -60.48 -28.41 68.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.851 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.02 -44.51 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.073 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ILE . . . . . 0.413 HG21 ' HE2' ' A' ' 16' ' ' LYS . 1.2 mp -58.63 -42.73 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 O-C-N 120.192 -1.567 . . . . 0.0 111.033 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -52.29 -63.3 1.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 126.225 2.203 . . . . 0.0 108.213 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -22.04 64.3 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 121.165 1.802 . . . . 0.0 112.439 -175.435 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.27 -54.5 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 O-C-N 119.53 -1.981 . . . . 0.0 105.885 177.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -43.04 -55.37 3.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 120.712 1.596 . . . . 0.0 110.138 166.527 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -41.97 24.23 Favored 'General case' 0 N--CA 1.419 -1.985 0 O-C-N 124.853 1.345 . . . . 0.0 110.639 -158.528 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 46' ' ' PRO . 82.3 t90 -53.06 -52.02 59.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.022 164.6 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -62.63 -50.12 72.51 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 120.129 1.331 . . . . 0.0 108.583 -173.386 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.45 92.44 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.039 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.98 98.21 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.446 1.021 . . . . 0.0 110.071 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.57 -5.17 22.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.289 1.036 . . . . 0.0 113.375 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.4 15.17 69.46 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.144 1.354 . . . . 0.0 114.554 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -108.08 163.17 13.38 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.912 2.085 . . . . 0.0 110.55 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 p -67.24 126.5 29.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 110.006 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.33 -161.01 8.96 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 158.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -171.97 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 123.236 1.493 . . . . 0.0 110.622 172.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -38.13 156.84 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 127.262 2.225 . . . . 0.0 111.985 163.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 44.57 0.13 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.855 2.062 . . . . 0.0 113.951 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 1 N-CA-C 101.445 -4.662 . . . . 0.0 101.445 159.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.476 0.838 0 CA-C-O 120.387 0.137 . . . . 0.0 111.146 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -78.79 35.24 0.24 Allowed 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 127.248 2.219 . . . . 0.0 113.964 -175.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.423 ' HB2' ' CE1' ' A' ' 38' ' ' HIS . 72.1 mt -67.13 -178.06 0.75 Allowed 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 127.713 2.405 . . . . 0.0 111.896 -178.394 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.418 ' HB2' ' CE1' ' A' ' 10' ' ' TYR . 10.3 mttm -36.16 117.42 0.46 Allowed 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 126.409 1.884 . . . . 0.0 109.946 178.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -74.87 0.42 15.66 Favored 'General case' 0 N--CA 1.452 -0.325 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.953 -161.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.6 m -151.26 156.48 40.93 Favored 'General case' 0 N--CA 1.445 -0.712 0 O-C-N 120.555 -1.341 . . . . 0.0 112.579 170.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.431 HG13 ' HA ' ' A' ' 43' ' ' THR . 0.6 OUTLIER -52.81 -39.79 32.82 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.53 0 C-N-CA 125.618 1.567 . . . . 0.0 111.179 172.108 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.0 t -74.87 -8.45 56.5 Favored 'General case' 0 C--O 1.239 0.548 0 O-C-N 120.793 -1.192 . . . . 0.0 112.161 -176.23 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 32.9 t70 -87.71 -24.89 23.72 Favored 'General case' 0 C--N 1.344 0.354 0 CA-C-N 120.055 1.298 . . . . 0.0 111.95 162.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.418 ' CE1' ' HB2' ' A' ' 4' ' ' LYS . 34.1 m-85 -63.28 161.79 13.25 Favored 'General case' 0 N--CA 1.44 -0.925 0 CA-C-O 123.075 1.417 . . . . 0.0 107.944 165.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.5 p -111.82 166.94 10.76 Favored 'General case' 0 N--CA 1.43 -1.474 1 C-N-CA 132.291 4.236 . . . . 0.0 103.478 161.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -59.68 -34.42 72.84 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-N 114.324 -1.307 . . . . 0.0 111.168 174.106 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -85.87 -34.59 20.97 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.527 -0.733 . . . . 0.0 111.259 -170.168 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -62.38 -41.07 98.35 Favored 'General case' 0 C--O 1.235 0.291 0 O-C-N 120.482 -1.386 . . . . 0.0 109.553 170.283 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -64.26 -40.69 96.51 Favored 'General case' 0 C--O 1.216 -0.691 0 CA-C-O 118.178 -0.915 . . . . 0.0 109.204 176.793 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.413 ' HE2' HG21 ' A' ' 67' ' ' ILE . 0.0 OUTLIER -48.63 -53.65 17.75 Favored 'General case' 0 C--O 1.209 -1.06 0 CA-C-O 114.723 -2.56 . . . . 0.0 109.193 169.408 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.41 -33.86 68.31 Favored 'General case' 0 N--CA 1.447 -0.61 0 CA-C-N 123.921 3.055 . . . . 0.0 112.766 -177.659 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -67.73 -47.4 79.94 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.702 0 CA-C-N 120.926 1.693 . . . . 0.0 111.611 173.033 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.406 ' HA ' HD11 ' A' ' 22' ' ' ILE . 13.6 mm -69.02 -31.97 52.52 Favored 'Isoleucine or valine' 0 CA--C 1.555 1.137 0 C-N-CA 125.308 1.443 . . . . 0.0 110.771 -175.085 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -76.34 -39.81 52.93 Favored 'General case' 0 N--CA 1.433 -1.278 0 C-N-CA 127.963 2.505 . . . . 0.0 110.036 172.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.49 ' CG ' ' HZ3' ' A' ' 31' ' ' LYS . 10.0 t70 -43.03 -53.53 4.77 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.818 1.647 . . . . 0.0 109.503 177.633 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ILE . . . . . 0.582 HG22 ' HA ' ' A' ' 32' ' ' GLN . 3.8 pt -69.76 -57.36 8.51 Favored 'Isoleucine or valine' 0 N--CA 1.437 -1.123 0 C-N-CA 126.485 1.914 . . . . 0.0 112.437 -178.253 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ILE . . . . . . . . . . . . . 76.2 mt -51.65 -40.04 25.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.773 0 O-C-N 124.157 0.911 . . . . 0.0 111.791 -178.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . 0.274 18.0 m-80 -69.85 -54.46 13.39 Favored 'General case' 0 N--CA 1.441 -0.882 0 C-N-CA 126.05 1.74 . . . . 0.0 109.695 171.228 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' CYS . . . . . . . . . . . . . 6.3 t 87.34 72.81 0.01 OUTLIER 'General case' 0 N--CA 1.453 -0.3 0 C-N-CA 131.249 3.82 . . . . 0.0 107.892 -171.17 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -69.62 53.93 0.11 Allowed 'General case' 0 N--CA 1.437 -1.116 0 C-N-CA 127.862 2.465 . . . . 0.0 109.581 167.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 170.59 -152.38 18.61 Favored Glycine 0 CA--C 1.523 0.532 0 O-C-N 120.259 -1.526 . . . . 0.0 114.771 -159.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 16.5 t0 -148.9 37.86 0.81 Allowed 'General case' 0 C--O 1.217 -0.608 0 C-N-CA 125.663 1.585 . . . . 0.0 110.044 -158.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 7.6 mt-10 79.41 -47.44 0.38 Allowed 'General case' 0 N--CA 1.482 1.165 0 C-N-CA 130.411 3.484 . . . . 0.0 108.478 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -65.99 -37.71 86.66 Favored 'General case' 0 C--N 1.312 -1.047 0 C-N-CA 129.879 3.272 . . . . 0.0 110.775 -173.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.49 ' HZ3' ' CG ' ' A' ' 21' ' ' ASP . 1.3 tmtp? -62.42 -41.07 98.42 Favored 'General case' 0 N--CA 1.431 -1.387 0 C-N-CA 126.484 1.913 . . . . 0.0 110.86 168.345 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLN . . . . . 0.582 ' HA ' HG22 ' A' ' 22' ' ' ILE . 31.1 mt-30 -64.07 -45.75 87.36 Favored 'General case' 0 C--O 1.218 -0.555 0 CA-C-O 117.039 -1.457 . . . . 0.0 109.904 171.705 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -56.55 -42.0 77.8 Favored 'General case' 0 N--CA 1.482 1.162 0 CA-C-N 119.769 1.168 . . . . 0.0 112.094 177.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -66.73 -40.91 88.55 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.574 1.15 . . . . 0.0 111.516 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . 0.452 ' ND2' HD13 ' A' ' 22' ' ' ILE . 1.4 t30 -57.0 -45.31 83.08 Favored 'General case' 0 C--O 1.215 -0.747 0 CA-C-O 117.658 -1.163 . . . . 0.0 110.34 161.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.437 HD23 ' HA ' ' A' ' 36' ' ' LEU . 10.7 mt -70.07 -34.87 73.73 Favored 'General case' 0 N--CA 1.442 -0.87 0 CA-C-N 120.237 1.381 . . . . 0.0 111.86 -160.742 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 4.9 tm-20 -54.66 -54.77 37.21 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 162.402 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.423 ' CE1' ' HB2' ' A' ' 3' ' ' LEU . 48.2 t60 -58.03 -42.71 85.92 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.137 0.421 . . . . 0.0 112.137 -176.288 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.403 ' CE2' HD12 ' A' ' 52' ' ' ILE . 38.3 t80 -63.29 -21.47 66.27 Favored 'General case' 0 CA--C 1.536 0.426 0 C-N-CA 128.413 2.685 . . . . 0.0 113.327 174.452 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 1.6 mp -75.63 -51.9 19.58 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.433 0 CA-C-N 120.378 1.445 . . . . 0.0 107.683 159.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.11 -62.47 1.69 Allowed 'General case' 0 N--CA 1.434 -1.259 0 C-N-CA 126.462 1.905 . . . . 0.0 113.508 -158.251 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' VAL . . . . . 0.414 ' HB ' HG12 ' A' ' 7' ' ' ILE . 4.9 m -62.86 -35.91 73.22 Favored 'Isoleucine or valine' 0 N--CA 1.426 -1.638 0 C-N-CA 124.787 1.235 . . . . 0.0 111.191 179.62 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.431 ' HA ' HG13 ' A' ' 7' ' ' ILE . 0.2 OUTLIER -81.37 -39.41 25.1 Favored 'General case' 0 N--CA 1.433 -1.318 0 C-N-CA 126.324 1.85 . . . . 0.0 112.492 -163.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 65.53 -0.28 1.25 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 124.565 1.146 . . . . 0.0 110.567 -167.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' HIS . . . . . . . . . . . . . 17.4 t-80 -73.89 110.42 9.12 Favored Pre-proline 0 CA--C 1.544 0.735 0 C-N-CA 125.214 1.406 . . . . 0.0 107.492 -169.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . 0.428 ' HD3' ' CZ2' ' A' ' 73' ' ' TRP . 11.2 Cg_endo -60.57 -32.55 93.59 Favored 'Trans proline' 0 C--N 1.346 0.442 1 C-N-CA 125.397 4.065 . . . . 0.0 114.738 -161.052 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 49.9 m -54.9 -37.96 66.98 Favored 'General case' 0 N--CA 1.453 -0.287 0 C-N-CA 124.165 0.986 . . . . 0.0 112.849 174.4 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 48.72 -129.53 21.56 Favored Glycine 0 C--N 1.34 0.779 0 N-CA-C 108.93 -1.668 . . . . 0.0 108.93 -160.816 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -57.2 -10.06 1.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 C-N-CA 127.399 2.28 . . . . 0.0 115.396 -177.882 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.14 -33.22 71.85 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 120.23 1.377 . . . . 0.0 111.918 176.709 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.8 mp -70.05 -8.98 53.75 Favored 'General case' 0 N--CA 1.48 1.034 0 O-C-N 120.514 -1.366 . . . . 0.0 113.194 172.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.403 HD12 ' CE2' ' A' ' 39' ' ' PHE . 7.8 mt -117.36 -39.7 2.34 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.388 0 C-N-CA 125.256 1.422 . . . . 0.0 109.195 -166.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' TYR . . . . . . . . . . . . . 15.1 m-85 -108.8 -21.03 12.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 125.18 1.392 . . . . 0.0 112.391 -175.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 6.2 m-85 -125.94 37.61 0.38 Allowed Pre-proline 0 CA--C 1.547 0.83 0 CA-C-N 119.564 1.074 . . . . 0.0 111.593 178.288 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 73.6 Cg_endo -63.44 157.96 47.84 Favored 'Trans proline' 0 C--N 1.352 0.734 0 C-N-CA 122.337 2.025 . . . . 0.0 112.264 -166.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -113.16 -164.08 0.9 Allowed 'General case' 0 CA--C 1.535 0.374 0 C-N-CA 126.785 2.034 . . . . 0.0 109.889 -175.152 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -94.76 0.64 65.11 Favored Glycine 0 C--N 1.329 0.175 0 N-CA-C 117.02 1.568 . . . . 0.0 117.02 -164.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -18.4 58.17 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 108.799 -0.815 . . . . 0.0 108.799 158.796 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -90.84 132.64 35.77 Favored 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 122.815 0.446 . . . . 0.0 110.394 -158.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.409 ' H ' ' CB ' ' A' ' 65' ' ' ALA . 1.2 p-10 -89.94 -3.57 57.97 Favored 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 123.754 0.821 . . . . 0.0 110.893 174.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 67.53 2.56 21.87 Favored Glycine 0 CA--C 1.528 0.855 0 C-N-CA 126.022 1.773 . . . . 0.0 113.544 178.186 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -94.42 177.94 1.7 Allowed Pre-proline 0 N--CA 1.427 -1.577 0 C-N-CA 126.104 1.762 . . . . 0.0 108.706 175.268 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -65.26 -11.6 30.91 Favored 'Trans proline' 0 N--CA 1.45 -1.036 0 C-N-CA 120.458 0.772 . . . . 0.0 112.182 174.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -72.63 -60.78 2.06 Favored 'General case' 0 N--CA 1.439 -0.987 0 O-C-N 120.828 -1.17 . . . . 0.0 110.389 -173.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ALA . . . . . 0.409 ' CB ' ' H ' ' A' ' 60' ' ' ASP . . . -60.48 -28.41 68.32 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 117.975 -1.012 . . . . 0.0 111.851 -174.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 60.0 t -68.02 -44.51 84.73 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.407 0 C-N-CA 118.599 -1.24 . . . . 0.0 109.073 173.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ILE . . . . . 0.413 HG21 ' HE2' ' A' ' 16' ' ' LYS . 1.2 mp -58.63 -42.73 85.69 Favored 'Isoleucine or valine' 0 CA--C 1.497 -1.091 0 O-C-N 120.192 -1.567 . . . . 0.0 111.033 -178.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LYS . . . . . . . . . . . . . 22.2 mttm -52.29 -63.3 1.19 Allowed 'General case' 0 CA--C 1.493 -1.241 0 O-C-N 126.225 2.203 . . . . 0.0 108.213 171.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.12 -22.04 64.3 Favored 'General case' 0 C--N 1.318 -0.773 0 CA-C-N 121.165 1.802 . . . . 0.0 112.439 -175.435 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -75.27 -54.5 13.94 Favored 'Isoleucine or valine' 0 N--CA 1.419 -2.001 0 O-C-N 119.53 -1.981 . . . . 0.0 105.885 177.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 63.0 mmtt -43.04 -55.37 3.85 Favored 'General case' 0 C--N 1.352 0.715 0 CA-C-N 120.712 1.596 . . . . 0.0 110.138 166.527 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.2 -41.97 24.23 Favored 'General case' 0 N--CA 1.419 -1.985 0 O-C-N 124.853 1.345 . . . . 0.0 110.639 -158.528 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TRP . . . . . 0.428 ' CZ2' ' HD3' ' A' ' 46' ' ' PRO . 82.3 t90 -53.06 -52.02 59.9 Favored 'General case' 0 CA--C 1.511 -0.529 0 CA-C-O 117.702 -1.142 . . . . 0.0 111.022 164.6 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 24.9 mmm180 -62.63 -50.12 72.51 Favored 'General case' 0 C--N 1.347 0.483 0 CA-C-N 120.129 1.331 . . . . 0.0 108.583 -173.386 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -65.33 -39.45 92.44 Favored 'General case' 0 N--CA 1.439 -1.013 0 CA-C-O 118.337 -0.84 . . . . 0.0 112.039 -177.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -62.36 -40.98 98.21 Favored 'General case' 0 C--N 1.339 0.133 0 CA-C-N 119.446 1.021 . . . . 0.0 110.071 175.713 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 3.3 m-80 -69.57 -5.17 22.65 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.289 1.036 . . . . 0.0 113.375 171.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 84.4 15.17 69.46 Favored Glycine 0 CA--C 1.533 1.181 0 C-N-CA 125.144 1.354 . . . . 0.0 114.554 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LYS . . . . . . . . . . . . . 45.7 mttt -108.08 163.17 13.38 Favored 'General case' 0 N--CA 1.445 -0.71 0 C-N-CA 126.912 2.085 . . . . 0.0 110.55 -166.59 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' SER . . . . . . . . . . . . . 1.7 p -67.24 126.5 29.42 Favored 'General case' 0 N--CA 1.451 -0.421 0 C-N-CA 123.396 0.679 . . . . 0.0 110.006 171.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLY . . . . . . . . . . . . . . . -75.33 -161.01 8.96 Favored Glycine 0 CA--C 1.526 0.761 0 N-CA-C 108.078 -2.009 . . . . 0.0 108.078 158.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -60.88 -171.97 0.02 OUTLIER 'General case' 0 N--CA 1.447 -0.575 0 CA-C-O 123.236 1.493 . . . . 0.0 110.622 172.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.9 tppt? -38.13 156.84 0.01 OUTLIER 'General case' 0 N--CA 1.438 -1.033 0 C-N-CA 127.262 2.225 . . . . 0.0 111.985 163.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -72.6 44.57 0.13 Allowed 'General case' 0 CA--C 1.54 0.571 0 C-N-CA 126.855 2.062 . . . . 0.0 113.951 178.628 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 1 N-CA-C 101.445 -4.662 . . . . 0.0 101.445 159.331 . . . . . . . . 1 1 . 1 stop_ save_