data_1hrq_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 1hrq _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' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.85 143.55 98.82 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.16 157.7 60.48 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.128 1.885 . . . . 0.0 111.106 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.55 94.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.95 56.22 3.61 Favored 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 123.962 0.905 . . . . 0.0 108.642 172.171 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.32 146.47 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.91 0.884 . . . . 0.0 108.667 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.3 125.95 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 167.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 137.59 36.23 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.58 -35.56 72.59 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.501 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.55 11.61 25.85 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.804 2.042 . . . . 0.0 112.428 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.88 147.81 22.56 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 167.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.03 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -55.71 -49.38 73.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.239 1.416 . . . . 0.0 109.191 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.05 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.642 -0.661 . . . . 0.0 112.065 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.13 -53.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.52 74.51 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -18.01 61.08 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.413 1.085 . . . . 0.0 111.958 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 54.3 42.03 31.68 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 119.2 0.909 . . . . 0.0 109.073 -169.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -70.66 131.95 44.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -141.74 135.35 29.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -66.67 -45.75 77.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.733 1.213 . . . . 0.0 110.113 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.47 85.87 0.43 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 122.203 1.001 . . . . 0.0 108.779 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.88 -21.91 66.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.64 0.776 . . . . 0.0 112.889 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -42.23 69.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.276 -0.89 . . . . 0.0 110.852 171.557 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -73.68 -32.04 63.75 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.483 0.713 . . . . 0.0 111.416 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -44.85 148.42 0.54 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.994 1.318 . . . . 0.0 113.279 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.41 -7.81 11.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.318 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 22.4 ptt180 -48.37 -46.44 36.9 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.638 1.563 . . . . 0.0 114.222 -173.125 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.53 -39.42 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.273 1.029 . . . . 0.0 110.776 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.12 -44.84 75.22 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.95 70.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.837 1.655 . . . . 0.0 111.303 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.97 57.11 4.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.375 1.87 . . . . 0.0 112.24 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -58.57 143.82 80.58 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.466 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.56 149.58 84.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 121.983 1.789 . . . . 0.0 109.842 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.79 -66.69 0.5 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tp -154.61 158.68 32.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -55.46 144.42 73.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.29 2.66 . . . . 0.0 110.858 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -51.75 -42.19 58.34 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.635 2.224 . . . . 0.0 112.029 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.35 -34.97 49.88 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -76.24 -28.32 57.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.079 0.551 . . . . 0.0 112.021 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.1 123.78 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.867 -1.146 . . . . 0.0 110.709 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.56 167.46 17.36 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 166.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.5 m -46.57 -40.66 13.16 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 110.424 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.96 1.3 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.41 1.484 . . . . 0.0 114.315 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -120.17 32.35 6.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.209 1.003 . . . . 0.0 111.248 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.49 128.6 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 109.675 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -46.13 -33.9 3.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 127.257 2.223 . . . . 0.0 112.264 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -98.05 7.27 46.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.931 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 ttp -69.53 146.13 52.1 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.433 1.015 . . . . 0.0 110.164 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -127.67 87.64 2.65 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.798 1.639 . . . . 0.0 108.613 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -15.81 58.26 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.622 0.769 . . . . 0.0 112.534 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -63.59 -22.42 66.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.808 1.643 . . . . 0.0 111.859 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.24 129.35 18.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.96 127.13 20.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.32 0.648 . . . . 0.0 110.28 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.95 4.2 87.25 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.069 -0.851 . . . . 0.0 113.05 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.16 146.18 24.0 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 119.02 1.41 . . . . 0.0 110.628 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -152.09 -172.62 4.28 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.636 1.574 . . . . 0.0 108.653 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -64.5 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.463 2.305 . . . . 0.0 111.53 -158.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -101.06 6.4 43.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.667 0.787 . . . . 0.0 111.764 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.11 110.45 10.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 118.566 0.621 . . . . 0.0 111.538 -161.363 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.62 171.48 33.37 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -143.85 138.66 28.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -50.45 -43.9 55.38 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 0.0 111.359 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.15 -10.82 60.0 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.386 0.674 . . . . 0.0 112.088 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -126.18 72.48 71.3 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 125.327 1.451 . . . . 0.0 109.727 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.15 150.71 60.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.862 1.708 . . . . 0.0 110.019 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.11 -46.38 2.7 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.96 1.267 . . . . 0.0 111.939 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -82.22 168.41 17.68 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 109.95 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.13 129.22 54.92 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.16 1.384 . . . . 0.0 108.919 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.2 pp -77.02 165.46 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 166.258 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -92.69 131.37 37.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 m -51.15 -37.35 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 123.9 0.88 . . . . 0.0 111.767 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -66.88 -25.73 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.787 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.78 179.61 26.43 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.978 0.799 . . . . 0.0 112.828 -174.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TRP . . . . . . . . . . . . . 23.0 t90 -149.32 153.44 37.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.2 p -135.46 164.33 28.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.119 0.968 . . . . 0.0 109.764 166.062 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.32 -32.76 62.75 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 125.285 1.434 . . . . 0.0 111.716 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -74.3 -3.92 33.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -43.38 126.74 4.38 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.775 1.17 . . . . 0.0 110.566 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.5 m -136.31 135.08 38.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 127.09 30.34 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.223 0.919 . . . . 0.0 110.314 -171.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -36.32 104.3 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.315 1.446 . . . . 0.0 112.356 167.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.61 -144.24 0.14 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 164.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.445 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 176.209 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.85 143.55 98.82 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.16 157.7 60.48 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.128 1.885 . . . . 0.0 111.106 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.55 94.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.95 56.22 3.61 Favored 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 123.962 0.905 . . . . 0.0 108.642 172.171 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.32 146.47 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.91 0.884 . . . . 0.0 108.667 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.3 125.95 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 167.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 137.59 36.23 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.58 -35.56 72.59 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.501 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.55 11.61 25.85 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.804 2.042 . . . . 0.0 112.428 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.88 147.81 22.56 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 167.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.03 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -55.71 -49.38 73.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.239 1.416 . . . . 0.0 109.191 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.05 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.642 -0.661 . . . . 0.0 112.065 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.13 -53.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.52 74.51 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -18.01 61.08 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.413 1.085 . . . . 0.0 111.958 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 54.3 42.03 31.68 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 119.2 0.909 . . . . 0.0 109.073 -169.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -70.66 131.95 44.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -141.74 135.35 29.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -66.67 -45.75 77.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.733 1.213 . . . . 0.0 110.113 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.47 85.87 0.43 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 122.203 1.001 . . . . 0.0 108.779 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.88 -21.91 66.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.64 0.776 . . . . 0.0 112.889 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -42.23 69.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.276 -0.89 . . . . 0.0 110.852 171.557 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -73.68 -32.04 63.75 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.483 0.713 . . . . 0.0 111.416 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -44.85 148.42 0.54 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.994 1.318 . . . . 0.0 113.279 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.41 -7.81 11.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.318 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HB3' ' CD2' ' A' ' 76' ' ' TRP . 22.4 ptt180 -48.37 -46.44 36.9 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.638 1.563 . . . . 0.0 114.222 -173.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.53 -39.42 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.273 1.029 . . . . 0.0 110.776 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.12 -44.84 75.22 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.95 70.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.837 1.655 . . . . 0.0 111.303 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.97 57.11 4.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.375 1.87 . . . . 0.0 112.24 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -58.57 143.82 80.58 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.466 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.56 149.58 84.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 121.983 1.789 . . . . 0.0 109.842 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.79 -66.69 0.5 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tp -154.61 158.68 32.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -55.46 144.42 73.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.29 2.66 . . . . 0.0 110.858 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -51.75 -42.19 58.34 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.635 2.224 . . . . 0.0 112.029 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.35 -34.97 49.88 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -76.24 -28.32 57.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.079 0.551 . . . . 0.0 112.021 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.1 123.78 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.867 -1.146 . . . . 0.0 110.709 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.56 167.46 17.36 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 166.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.5 m -46.57 -40.66 13.16 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 110.424 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.96 1.3 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.41 1.484 . . . . 0.0 114.315 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -120.17 32.35 6.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.209 1.003 . . . . 0.0 111.248 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.49 128.6 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 109.675 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -46.13 -33.9 3.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 127.257 2.223 . . . . 0.0 112.264 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -98.05 7.27 46.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.931 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 ttp -69.53 146.13 52.1 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.433 1.015 . . . . 0.0 110.164 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -127.67 87.64 2.65 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.798 1.639 . . . . 0.0 108.613 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -15.81 58.26 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.622 0.769 . . . . 0.0 112.534 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -63.59 -22.42 66.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.808 1.643 . . . . 0.0 111.859 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.24 129.35 18.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.96 127.13 20.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.32 0.648 . . . . 0.0 110.28 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.95 4.2 87.25 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.069 -0.851 . . . . 0.0 113.05 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.16 146.18 24.0 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 119.02 1.41 . . . . 0.0 110.628 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -152.09 -172.62 4.28 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.636 1.574 . . . . 0.0 108.653 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -64.5 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.463 2.305 . . . . 0.0 111.53 -158.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -101.06 6.4 43.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.667 0.787 . . . . 0.0 111.764 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.11 110.45 10.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 118.566 0.621 . . . . 0.0 111.538 -161.363 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.62 171.48 33.37 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -143.85 138.66 28.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -50.45 -43.9 55.38 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 0.0 111.359 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.15 -10.82 60.0 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.386 0.674 . . . . 0.0 112.088 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -126.18 72.48 71.3 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 125.327 1.451 . . . . 0.0 109.727 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.15 150.71 60.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.862 1.708 . . . . 0.0 110.019 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.11 -46.38 2.7 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.96 1.267 . . . . 0.0 111.939 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -82.22 168.41 17.68 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 109.95 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.13 129.22 54.92 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.16 1.384 . . . . 0.0 108.919 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.2 pp -77.02 165.46 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 166.258 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -92.69 131.37 37.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 m -51.15 -37.35 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 123.9 0.88 . . . . 0.0 111.767 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -66.88 -25.73 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.787 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.78 179.61 26.43 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.978 0.799 . . . . 0.0 112.828 -174.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TRP . . . . . 0.409 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 23.0 t90 -149.32 153.44 37.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.2 p -135.46 164.33 28.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.119 0.968 . . . . 0.0 109.764 166.062 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.32 -32.76 62.75 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 125.285 1.434 . . . . 0.0 111.716 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -74.3 -3.92 33.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -43.38 126.74 4.38 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.775 1.17 . . . . 0.0 110.566 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.5 m -136.31 135.08 38.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 127.09 30.34 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.223 0.919 . . . . 0.0 110.314 -171.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -36.32 104.3 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.315 1.446 . . . . 0.0 112.356 167.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.61 -144.24 0.14 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 164.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.445 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 176.209 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' SER . . . . . . . . . . . . . 3.4 m . . . . . 0 N--CA 1.467 0.387 0 CA-C-O 117.58 -1.2 . . . . 0.0 110.808 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.85 143.55 98.82 Favored Pre-proline 0 CA--C 1.536 0.425 0 N-CA-C 108.838 -0.801 . . . . 0.0 108.838 171.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PRO . . . . . . . . . . . . . 30.0 Cg_endo -67.16 157.7 60.48 Favored 'Trans proline' 0 N--CA 1.451 -1.002 0 C-N-CA 122.128 1.885 . . . . 0.0 111.106 176.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ALA . . . . . . . . . . . . . . . -61.14 -45.55 94.22 Favored 'General case' 0 N--CA 1.452 -0.368 0 N-CA-C 108.933 -0.766 . . . . 0.0 108.933 171.649 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -83.95 56.22 3.61 Favored 'General case' 0 N--CA 1.458 -0.052 0 C-N-CA 123.962 0.905 . . . . 0.0 108.642 172.171 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -88.32 146.47 25.27 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 123.91 0.884 . . . . 0.0 108.667 160.263 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . . . . . . . . . 75.2 t -67.3 125.95 25.9 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 N-CA-C 108.396 -0.964 . . . . 0.0 108.396 167.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -80.8 137.59 36.23 Favored 'General case' 0 N--CA 1.451 -0.414 0 N-CA-C 109.043 -0.725 . . . . 0.0 109.043 175.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -58.58 -35.56 72.59 Favored 'General case' 0 CA--C 1.53 0.199 0 CA-C-O 121.101 0.477 . . . . 0.0 110.501 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -92.55 11.61 25.85 Favored 'General case' 0 N--CA 1.449 -0.477 0 C-N-CA 126.804 2.042 . . . . 0.0 112.428 179.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 35.3 t0 -56.88 147.81 22.56 Favored 'General case' 0 C--N 1.345 0.392 0 N-CA-C 107.401 -1.333 . . . . 0.0 107.401 167.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -60.91 -42.03 97.26 Favored 'General case' 0 C--N 1.33 -0.265 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 177.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.6 m -55.71 -49.38 73.17 Favored 'General case' 0 N--CA 1.443 -0.79 0 C-N-CA 125.239 1.416 . . . . 0.0 109.191 172.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.92 -37.05 85.05 Favored 'General case' 0 CA--C 1.522 -0.121 0 O-C-N 121.642 -0.661 . . . . 0.0 112.065 -177.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.1 mt -62.13 -53.37 48.65 Favored 'Isoleucine or valine' 0 N--CA 1.45 -0.454 0 N-CA-C 108.102 -1.073 . . . . 0.0 108.102 176.016 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -55.51 -48.52 74.51 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 122.927 0.491 . . . . 0.0 111.219 177.505 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -73.65 -18.01 61.08 Favored 'General case' 0 C--O 1.224 -0.25 0 C-N-CA 124.413 1.085 . . . . 0.0 111.958 -178.504 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 29.2 mmmt 54.3 42.03 31.68 Favored 'General case' 0 N--CA 1.446 -0.631 0 CA-C-N 119.2 0.909 . . . . 0.0 109.073 -169.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' TYR . . . . . . . . . . . . . 22.3 t80 -70.66 131.95 44.69 Favored 'General case' 0 N--CA 1.451 -0.401 0 N-CA-C 108.269 -1.011 . . . . 0.0 108.269 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 60.7 t-20 -141.74 135.35 29.67 Favored 'General case' 0 N--CA 1.45 -0.455 0 N-CA-C 108.479 -0.934 . . . . 0.0 108.479 170.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLN . . . . . . . . . . . . . 31.4 mt-30 -66.67 -45.75 77.87 Favored 'General case' 0 N--CA 1.452 -0.363 0 C-N-CA 124.733 1.213 . . . . 0.0 110.113 171.31 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 57.4 t0 -69.47 85.87 0.43 Allowed 'General case' 0 N--CA 1.452 -0.348 0 CA-C-O 122.203 1.001 . . . . 0.0 108.779 177.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.88 -21.91 66.9 Favored 'General case' 0 N--CA 1.452 -0.357 0 C-N-CA 123.64 0.776 . . . . 0.0 112.889 179.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.98 -42.23 69.98 Favored 'General case' 0 CA--C 1.536 0.421 0 O-C-N 121.276 -0.89 . . . . 0.0 110.852 171.557 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.7 tppt? -73.68 -32.04 63.75 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 123.483 0.713 . . . . 0.0 111.416 176.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 28.3 t -44.85 148.42 0.54 Allowed 'General case' 0 N--CA 1.456 -0.148 0 C-N-CA 124.994 1.318 . . . . 0.0 113.279 -177.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -64.41 -7.81 11.12 Favored 'General case' 0 N--CA 1.447 -0.579 0 CA-C-N 114.37 -1.286 . . . . 0.0 112.318 173.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.409 ' HB3' ' CD2' ' A' ' 76' ' ' TRP . 22.4 ptt180 -48.37 -46.44 36.9 Favored 'General case' 0 CA--C 1.531 0.24 0 CA-C-N 120.638 1.563 . . . . 0.0 114.222 -173.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 1.8 t -63.53 -39.42 85.27 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.304 0 C-N-CA 124.273 1.029 . . . . 0.0 110.776 178.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -68.12 -44.84 75.22 Favored 'General case' 0 CA--C 1.532 0.283 0 CA-C-O 121.318 0.58 . . . . 0.0 110.181 178.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -71.82 -37.95 70.27 Favored 'General case' 0 N--CA 1.451 -0.416 0 C-N-CA 125.837 1.655 . . . . 0.0 111.303 -175.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 43.97 57.11 4.32 Favored 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 126.375 1.87 . . . . 0.0 112.24 179.714 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 71.9 mtp85 -58.57 143.82 80.58 Favored Pre-proline 0 CA--C 1.532 0.287 0 CA-C-O 118.813 -0.613 . . . . 0.0 110.466 179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PRO . . . . . . . . . . . . . 71.0 Cg_endo -66.56 149.58 84.21 Favored 'Trans proline' 0 N--CA 1.452 -0.962 0 C-N-CA 121.983 1.789 . . . . 0.0 109.842 174.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 140.79 -66.69 0.5 Allowed Glycine 0 CA--C 1.525 0.676 0 N-CA-C 110.083 -1.207 . . . . 0.0 110.083 178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 2.4 tp -154.61 158.68 32.28 Favored Pre-proline 0 CA--C 1.533 0.316 0 N-CA-C 105.851 -1.907 . . . . 0.0 105.851 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 66.8 Cg_exo -55.46 144.42 73.33 Favored 'Trans proline' 0 N--CA 1.458 -0.603 0 C-N-CA 123.29 2.66 . . . . 0.0 110.858 -174.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 13.3 Cg_endo -51.75 -42.19 58.34 Favored 'Trans proline' 0 N--CA 1.455 -0.749 0 C-N-CA 122.635 2.224 . . . . 0.0 112.029 -173.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -52.35 -34.97 49.88 Favored 'General case' 0 CA--C 1.537 0.444 0 N-CA-C 112.833 0.679 . . . . 0.0 112.833 177.397 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 41.4 mm-40 -76.24 -28.32 57.08 Favored 'General case' 0 N--CA 1.454 -0.254 0 C-N-CA 123.079 0.551 . . . . 0.0 112.021 175.29 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -70.1 123.78 22.45 Favored 'General case' 0 C--N 1.331 -0.225 0 O-C-N 120.867 -1.146 . . . . 0.0 110.709 -169.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -165.56 167.46 17.36 Favored 'General case' 0 C--N 1.332 -0.189 0 N-CA-C 108.639 -0.875 . . . . 0.0 108.639 166.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.5 m -46.57 -40.66 13.16 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 124.752 1.221 . . . . 0.0 110.424 -179.108 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -40.41 -40.96 1.3 Allowed 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 125.41 1.484 . . . . 0.0 114.315 173.054 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 51.3 p30 -120.17 32.35 6.07 Favored 'General case' 0 N--CA 1.465 0.324 0 C-N-CA 124.209 1.003 . . . . 0.0 111.248 177.709 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' CYS . . . . . . . . . . . . . 42.4 t -96.49 128.6 43.57 Favored 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 124.301 1.04 . . . . 0.0 109.675 175.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 -46.13 -33.9 3.86 Favored 'General case' 0 N--CA 1.449 -0.495 0 C-N-CA 127.257 2.223 . . . . 0.0 112.264 176.471 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 7.9 m-30 -98.05 7.27 46.57 Favored 'General case' 0 N--CA 1.449 -0.485 0 CA-C-O 118.407 -0.806 . . . . 0.0 112.931 -171.426 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' MET . . . . . . . . . . . . . 36.9 ttp -69.53 146.13 52.1 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 119.433 1.015 . . . . 0.0 110.164 177.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 28.4 mt-30 -127.67 87.64 2.65 Favored 'General case' 0 CA--C 1.528 0.132 0 C-N-CA 125.798 1.639 . . . . 0.0 108.613 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -78.42 -15.81 58.26 Favored 'General case' 0 C--N 1.325 -0.484 0 C-N-CA 123.622 0.769 . . . . 0.0 112.534 179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.4 p-10 -63.59 -22.42 66.89 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 125.808 1.643 . . . . 0.0 111.859 167.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.24 129.35 18.11 Favored 'General case' 0 CA--C 1.534 0.327 0 N-CA-C 113.008 0.744 . . . . 0.0 113.008 -170.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -51.96 127.13 20.36 Favored 'General case' 0 N--CA 1.454 -0.267 0 C-N-CA 123.32 0.648 . . . . 0.0 110.28 177.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLY . . . . . . . . . . . . . . . 84.95 4.2 87.25 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 119.069 -0.851 . . . . 0.0 113.05 -179.572 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -56.16 146.18 24.0 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 119.02 1.41 . . . . 0.0 110.628 171.574 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 5.4 t -152.09 -172.62 4.28 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.636 1.574 . . . . 0.0 108.653 -175.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -43.59 -64.5 0.64 Allowed 'General case' 0 N--CA 1.451 -0.399 0 C-N-CA 127.463 2.305 . . . . 0.0 111.53 -158.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -101.06 6.4 43.34 Favored 'General case' 0 N--CA 1.444 -0.743 0 C-N-CA 123.667 0.787 . . . . 0.0 111.764 -177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 98.6 m95 -133.11 110.45 10.19 Favored 'General case' 0 CA--C 1.516 -0.332 0 CA-C-N 118.566 0.621 . . . . 0.0 111.538 -161.363 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 11.8 mptt -128.81 179.73 5.55 Favored 'General case' 0 C--N 1.331 -0.22 0 N-CA-C 107.726 -1.213 . . . . 0.0 107.726 -176.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -92.62 171.48 33.37 Favored Glycine 0 CA--C 1.522 0.515 0 N-CA-C 110.076 -1.21 . . . . 0.0 110.076 -179.286 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 6.0 t -143.85 138.66 28.8 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.026 -1.472 . . . . 0.0 107.026 172.372 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 81.6 mt-30 -50.45 -43.9 55.38 Favored 'General case' 0 N--CA 1.465 0.297 0 C-N-CA 123.391 0.676 . . . . 0.0 111.359 -177.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 35.0 mt -74.15 -10.82 60.0 Favored 'General case' 0 CA--C 1.534 0.358 0 C-N-CA 123.386 0.674 . . . . 0.0 112.088 -177.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 53.8 m-85 -126.18 72.48 71.3 Favored Pre-proline 0 N--CA 1.453 -0.308 0 C-N-CA 125.327 1.451 . . . . 0.0 109.727 -178.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 65.1 Cg_endo -71.15 150.71 60.21 Favored 'Trans proline' 0 N--CA 1.447 -1.223 0 C-N-CA 121.862 1.708 . . . . 0.0 110.019 178.826 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 78.11 -46.38 2.7 Favored Glycine 0 CA--C 1.528 0.898 0 C-N-CA 124.96 1.267 . . . . 0.0 111.939 176.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LYS . . . . . . . . . . . . . 34.1 mttp -82.22 168.41 17.68 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 123.622 0.769 . . . . 0.0 109.95 177.407 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.3 mt -119.13 129.22 54.92 Favored 'General case' 0 CA--C 1.53 0.19 0 C-N-CA 125.16 1.384 . . . . 0.0 108.919 175.621 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 2.2 pp -77.02 165.46 3.11 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.269 0 N-CA-C 108.536 -0.913 . . . . 0.0 108.536 166.258 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -92.69 131.37 37.83 Favored 'General case' 0 N--CA 1.452 -0.338 0 N-CA-C 107.78 -1.192 . . . . 0.0 107.78 166.724 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 20.5 m -51.15 -37.35 17.48 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.341 0 C-N-CA 123.9 0.88 . . . . 0.0 111.767 -176.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASN . . . . . . . . . . . . . 69.7 m-80 -66.88 -25.73 66.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.223 -0.899 . . . . 0.0 111.787 -177.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -69.78 179.61 26.43 Favored Glycine 0 C--N 1.336 0.577 0 C-N-CA 123.978 0.799 . . . . 0.0 112.828 -174.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TRP . . . . . 0.409 ' CD2' ' HB3' ' A' ' 28' ' ' ARG . 23.0 t90 -149.32 153.44 37.48 Favored 'General case' 0 C--N 1.331 -0.237 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' CYS . . . . . . . . . . . . . 3.2 p -135.46 164.33 28.03 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 124.119 0.968 . . . . 0.0 109.764 166.062 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . . . . . . . . . . . -55.32 -32.76 62.75 Favored 'General case' 0 C--N 1.334 -0.095 0 C-N-CA 125.285 1.434 . . . . 0.0 111.716 179.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -74.3 -3.92 33.07 Favored 'General case' 0 N--CA 1.451 -0.415 0 CA-C-O 117.818 -1.087 . . . . 0.0 113.067 177.665 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 87.4 t90 -43.38 126.74 4.38 Favored 'General case' 0 C--N 1.346 0.426 0 CA-C-N 119.775 1.17 . . . . 0.0 110.566 179.119 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 53.5 m -136.31 135.08 38.61 Favored 'General case' 0 N--CA 1.45 -0.449 0 N-CA-C 105.543 -2.021 . . . . 0.0 105.543 -176.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -59.4 127.09 30.34 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 119.223 0.919 . . . . 0.0 110.314 -171.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 45.9 tttm -36.32 104.3 0.03 OUTLIER 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.315 1.446 . . . . 0.0 112.356 167.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -88.61 -144.24 0.14 Allowed 'General case' 0 C--O 1.237 0.439 0 N-CA-C 108.754 -0.832 . . . . 0.0 108.754 164.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.445 0 N-CA-C 105.267 -3.133 . . . . 0.0 105.267 176.209 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SF4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_