data_1z1z_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 1z1z _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' HIS . . . . . 0.577 ' NE2' ' HA ' ' A' ' 52' ' ' GLU . 77.4 m80 -90.9 76.72 6.26 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 105.461 -2.052 . . . . 0.0 105.461 169.517 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.682 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -63.0 -38.51 91.47 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.826 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.527 ' O ' HG11 ' A' ' 10' ' ' VAL . 2.9 pp -65.11 -37.98 89.2 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.417 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . 0.483 ' N ' HD11 ' A' ' 6' ' ' LEU . 22.1 ttm-85 -60.85 -41.68 96.33 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 124.104 0.878 . . . . 0.0 109.327 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.87 91.93 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.652 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -66.27 -50.91 62.11 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 123.705 0.628 . . . . 0.0 111.443 -178.016 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . 0.527 HG11 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -65.65 -38.41 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.126 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.701 0.286 . . . . 0.0 111.353 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.73 -45.26 93.53 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.288 0.566 . . . . 0.0 110.354 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.86 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.79 -45.5 85.94 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.281 1.033 . . . . 0.0 110.872 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.94 -43.62 98.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.056 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.04 -45.83 39.0 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 17.5 m80 -106.54 -13.75 15.24 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 119.51 3.152 . . . . 0.0 119.51 -171.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -85.13 156.59 20.97 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 117.147 -1.821 . . . . 0.0 113.408 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.531 ' OG1' ' HG2' ' A' ' 84' ' ' ARG 0.265 4.4 m -45.0 -41.61 7.54 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.168 2.987 . . . . 0.0 109.683 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.583 ' HA2' ' CZ ' ' A' ' 23' ' ' PHE . . . 84.13 29.74 30.23 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.255 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -62.44 1.69 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.44 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 m -151.89 130.57 12.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PHE . . . . . 0.583 ' CZ ' ' HA2' ' A' ' 20' ' ' GLY . 90.5 m-85 -117.85 142.41 47.34 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 118.069 0.395 . . . . 0.0 111.857 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -120.57 133.12 55.42 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.627 170.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.59 -34.44 74.2 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.211 1.404 . . . . 0.0 110.893 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.47 166.2 31.64 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 105.819 -2.912 . . . . 0.0 105.819 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -68.33 122.48 84.48 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 119.114 1.457 . . . . 0.0 109.555 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.89 158.38 56.8 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.647 2.898 . . . . 0.0 114.98 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.94 38.07 1.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.225 1.01 . . . . 0.0 109.84 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.56 -169.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.325 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -83.4 169.06 15.98 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.91 122.03 5.33 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.309 1.005 . . . . 0.0 111.748 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.22 -29.93 70.77 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 113.059 -1.882 . . . . 0.0 110.279 -174.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -4.95 9.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.346 -1.297 . . . . 0.0 114.125 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.58 -34.38 74.1 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -121.92 155.04 61.12 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.319 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.49 119.52 5.79 Favored 'Trans proline' 0 C--O 1.25 1.09 0 C-N-CA 121.995 1.797 . . . . 0.0 111.592 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 160.01 43.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -132.29 142.0 43.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ALA . . . . . . . . . . . . . . . -130.9 145.48 52.03 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.54 132.47 71.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -140.39 131.62 26.54 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.956 179.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.417 ' HB2' HD13 ' A' ' 6' ' ' LEU . 4.6 mp -115.68 145.38 42.79 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' THR . . . . . 0.45 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 28.2 p -70.8 146.06 49.97 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.97 -3.85 4.94 Favored Glycine 0 N--CA 1.432 -1.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.28 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.09 -24.3 12.0 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.844 0.354 . . . . 0.0 111.274 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -63.96 -37.95 89.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.274 1.035 . . . . 0.0 109.074 -177.382 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -128.0 -174.59 3.24 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.1 p -58.36 -42.82 87.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.83 3.09 66.69 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.681 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 48.83 97.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.494 0 C-N-CA 126.484 1.914 . . . . 0.0 111.479 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.577 ' HA ' ' NE2' ' A' ' 3' ' ' HIS . 47.5 mt-10 -63.47 127.69 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.65 0.738 . . . . 0.0 111.374 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.75 134.17 54.4 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.538 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -105.62 12.27 31.36 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.046 -0.979 . . . . 0.0 108.407 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.1 p -69.28 156.72 38.3 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.437 -1.256 . . . . 0.0 113.885 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.72 -30.43 68.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.414 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 p -81.62 140.75 34.23 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 121.54 0.686 . . . . 0.0 112.773 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' TRP . . . . . 0.408 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 14.8 t-105 -99.49 125.2 45.19 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.424 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -146.48 132.08 18.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.29 160.97 8.03 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . 0.45 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 34.3 tt0 -98.17 125.41 43.19 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.64 110.74 22.89 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.71 114.73 27.92 Favored 'General case' 0 N--CA 1.409 -2.501 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -115.29 130.04 70.52 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.612 -176.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -118.89 127.07 53.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.436 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 94.1 t -115.24 130.39 69.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -109.75 127.12 54.42 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -174.642 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -138.85 152.91 71.39 Favored Pre-proline 0 C--O 1.257 1.472 0 O-C-N 123.282 0.364 . . . . 0.0 110.689 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.12 144.77 36.62 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.256 2.637 . . . . 0.0 113.47 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.6 -25.04 15.8 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.838 176.306 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -80.99 8.07 9.3 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.51 116.37 66.1 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.62 159.13 54.88 Favored 'Trans proline' 0 C--O 1.254 1.309 0 C-N-CA 122.774 2.316 . . . . 0.0 112.291 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.08 -41.13 64.61 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t -65.1 -39.81 93.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.927 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.82 -40.81 83.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.303 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.599 ' O ' ' HG2' ' A' ' 81' ' ' MET . 62.4 tp -61.57 -45.61 93.42 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.47 -43.0 97.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.709 -1.132 . . . . 0.0 112.034 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.4 90.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.22 -43.96 95.58 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' MET . . . . . 0.601 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 97.9 mmm -61.32 -50.59 72.35 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.302 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -71.75 -47.73 51.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 118.231 -1.388 . . . . 0.0 113.566 -175.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -35.65 79.98 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . 0.531 ' HG2' ' OG1' ' A' ' 19' ' ' THR . 4.6 mpt_? -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 118.176 -1.41 . . . . 0.0 113.028 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ILE . . . . . 0.601 ' HB ' ' O ' ' A' ' 81' ' ' MET . 1.7 mp -59.99 -40.91 84.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . 0.285 57.9 m-85 -63.37 -53.45 52.7 Favored Pre-proline 0 C--O 1.246 0.871 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.33 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -56.23 -32.63 88.3 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.712 1.608 . . . . 0.0 112.425 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' VAL . . . . . 0.48 HG23 ' O ' ' A' ' 84' ' ' ARG . 71.3 t -66.07 -52.55 47.26 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.289 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' MET . . . . . 0.463 ' O ' HD12 ' A' ' 95' ' ' LEU . 61.4 mtm -66.62 -37.93 85.89 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.529 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -64.64 -26.96 68.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.142 0.496 . . . . 0.0 110.714 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -71.92 -22.08 61.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 49.9 mt -68.51 114.54 22.6 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.42 -34.44 94.53 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.13 2.554 . . . . 0.0 112.761 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.7 91.51 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.672 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.463 HD12 ' O ' ' A' ' 89' ' ' MET . 29.7 mt -63.86 -36.18 83.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.676 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 m -67.58 -33.9 75.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.8 -45.92 66.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.924 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.408 ' CD2' ' HB3' ' A' ' 58' ' ' TRP . 3.9 mm? -78.69 -50.4 11.48 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.422 ' CD1' ' HA ' ' A' ' 102' ' ' MET . 18.7 pt -127.0 153.18 35.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -61.91 -45.08 95.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.928 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -146.64 151.87 37.96 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' MET . . . . . 0.422 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.96 126.32 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.341 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.82 131.6 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.608 0.718 . . . . 0.0 111.649 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 125' ' ' TYR . . . -69.39 150.52 47.2 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.358 -173.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' SER . . . . . 0.694 ' HB2' ' O ' ' A' ' 124' ' ' THR . 18.9 m -136.85 -176.35 4.33 Favored 'General case' 0 N--CA 1.407 -2.599 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 152.81 51.48 Favored Glycine 0 C--O 1.265 2.066 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 -169.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 96.4 m-85 -108.66 135.51 49.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.56 143.81 45.87 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.88 125.03 52.37 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.941 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ARG . . . . . 0.563 ' O ' ' HB2' ' A' ' 120' ' ' SER . 85.5 mtt180 -136.65 162.3 33.54 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.925 0.869 . . . . 0.0 113.073 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ARG . . . . . 0.469 ' HA ' ' NE ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -158.13 112.71 2.59 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 160.703 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.58 18.65 1.5 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 115.408 -2.517 . . . . 0.0 115.122 -170.287 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -89.22 -61.51 1.69 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 115.938 -2.305 . . . . 0.0 113.784 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -97.23 -74.0 0.59 Allowed 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.69 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.77 -43.77 3.25 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.026 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLY . . . . . 0.408 ' HA2' ' HB3' ' A' ' 111' ' ' ARG . . . 96.27 8.08 57.88 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.23 169.41 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' LEU . . . . . 0.413 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 34.3 tp -79.92 8.88 6.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.815 0.817 . . . . 0.0 111.503 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TRP . . . . . 0.411 ' HB2' ' HG3' ' A' ' 111' ' ' ARG . 74.2 m95 -102.19 -170.87 1.87 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -173.581 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.7 m -120.68 128.59 53.11 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.359 1.436 . . . . 0.0 111.397 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.563 ' HB2' ' O ' ' A' ' 110' ' ' ARG . 23.8 m -139.82 144.84 37.51 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 172.745 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.457 ' HB1' ' SD ' ' A' ' 81' ' ' MET . . . -116.62 122.18 43.87 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.84 113.17 26.13 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 123.907 0.755 . . . . 0.0 108.997 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' LEU . . . . . 0.44 ' HG ' ' CD2' ' A' ' 107' ' ' TYR . 2.6 tt -109.44 132.33 54.23 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.694 ' O ' ' HB2' ' A' ' 105' ' ' SER . 87.2 m -116.58 133.55 55.88 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' TYR . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -124.67 128.83 49.42 Favored 'General case' 0 CA--C 1.492 -1.269 0 C-N-CA 123.18 0.592 . . . . 0.0 109.743 174.553 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.87 127.15 66.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.94 138.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 60.5 m 69.91 26.51 4.69 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 123.511 1.624 . . . . 0.0 108.347 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.46 -44.02 93.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.933 -1.94 . . . . 0.0 109.103 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 174.709 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' HIS . . . . . 0.567 ' NE2' ' HA ' ' A' ' 52' ' ' GLU . 77.4 m80 -90.9 76.72 6.26 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 105.461 -2.052 . . . . 0.0 105.461 169.517 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.682 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.0 mp0 -63.0 -38.51 91.47 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 10' ' ' VAL . 2.9 pp -65.11 -37.98 89.2 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.417 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 6' ' ' LEU . 22.1 ttm-85 -60.85 -41.68 96.33 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 124.104 0.878 . . . . 0.0 109.327 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.87 91.93 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.652 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -66.27 -50.91 62.11 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 123.705 0.628 . . . . 0.0 111.443 -178.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -65.65 -38.41 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.126 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.701 0.286 . . . . 0.0 111.353 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.73 -45.26 93.53 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.288 0.566 . . . . 0.0 110.354 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.86 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.79 -45.5 85.94 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.281 1.033 . . . . 0.0 110.872 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.94 -43.62 98.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.056 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.04 -45.83 39.0 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 17.5 m80 -106.54 -13.75 15.24 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 119.51 3.152 . . . . 0.0 119.51 -171.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -85.13 156.59 20.97 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 117.147 -1.821 . . . . 0.0 113.408 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.537 ' OG1' ' HG2' ' A' ' 84' ' ' ARG 0.265 4.4 m -45.0 -41.61 7.54 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.168 2.987 . . . . 0.0 109.683 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.587 ' HA2' ' CZ ' ' A' ' 23' ' ' PHE . . . 84.13 29.74 30.23 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.255 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -62.44 1.69 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.44 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 m -151.89 130.57 12.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HA2' ' A' ' 20' ' ' GLY . 90.5 m-85 -117.85 142.41 47.34 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 118.069 0.395 . . . . 0.0 111.857 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 96.1 m-85 -120.57 133.12 55.42 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.627 170.331 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.59 -34.44 74.2 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.211 1.404 . . . . 0.0 110.893 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.47 166.2 31.64 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 105.819 -2.912 . . . . 0.0 105.819 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -68.33 122.48 84.48 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 119.114 1.457 . . . . 0.0 109.555 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.89 158.38 56.8 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.647 2.898 . . . . 0.0 114.98 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.94 38.07 1.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.225 1.01 . . . . 0.0 109.84 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.56 -169.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.325 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -83.4 169.06 15.98 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.91 122.03 5.33 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.309 1.005 . . . . 0.0 111.748 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.22 -29.93 70.77 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 113.059 -1.882 . . . . 0.0 110.279 -174.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -4.95 9.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.346 -1.297 . . . . 0.0 114.125 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.58 -34.38 74.1 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -121.92 155.04 61.12 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.319 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.49 119.52 5.79 Favored 'Trans proline' 0 C--O 1.25 1.09 0 C-N-CA 121.995 1.797 . . . . 0.0 111.592 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 160.01 43.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 66' ' ' VAL . 7.6 p -132.29 142.0 43.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . . . -130.9 145.48 52.03 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.54 132.47 71.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' C ' HD12 ' A' ' 43' ' ' LEU . 78.6 t80 -140.39 131.62 26.54 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.956 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 10' ' ' VAL . 4.6 mp -115.68 145.38 42.79 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 28.2 p -70.8 146.06 49.97 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.97 -3.85 4.94 Favored Glycine 0 N--CA 1.432 -1.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.28 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.09 -24.3 12.0 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.844 0.354 . . . . 0.0 111.274 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -63.96 -37.95 89.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.274 1.035 . . . . 0.0 109.074 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -128.0 -174.59 3.24 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.1 p -58.36 -42.82 87.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.83 3.09 66.69 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.681 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 48.83 97.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.494 0 C-N-CA 126.484 1.914 . . . . 0.0 111.479 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HA ' ' NE2' ' A' ' 3' ' ' HIS . 47.5 mt-10 -63.47 127.69 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.65 0.738 . . . . 0.0 111.374 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.75 134.17 54.4 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.538 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -105.62 12.27 31.36 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.046 -0.979 . . . . 0.0 108.407 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.1 p -69.28 156.72 38.3 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.437 -1.256 . . . . 0.0 113.885 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.72 -30.43 68.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.414 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 p -81.62 140.75 34.23 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 121.54 0.686 . . . . 0.0 112.773 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 14.8 t-105 -99.49 125.2 45.19 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.424 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -146.48 132.08 18.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.29 160.97 8.03 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 34.3 tt0 -98.17 125.41 43.19 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.64 110.74 22.89 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.71 114.73 27.92 Favored 'General case' 0 N--CA 1.409 -2.501 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.447 HD13 ' H ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -115.29 130.04 70.52 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.612 -176.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -118.89 127.07 53.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.436 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 39' ' ' VAL . 94.1 t -115.24 130.39 69.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -109.75 127.12 54.42 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -174.642 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -138.85 152.91 71.39 Favored Pre-proline 0 C--O 1.257 1.472 0 O-C-N 123.282 0.364 . . . . 0.0 110.689 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.12 144.77 36.62 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.256 2.637 . . . . 0.0 113.47 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 118' ' ' TRP . . . -53.6 -25.04 15.8 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.838 176.306 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 95.6 mt-30 -80.99 8.07 9.3 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.51 116.37 66.1 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.62 159.13 54.88 Favored 'Trans proline' 0 C--O 1.254 1.309 0 C-N-CA 122.774 2.316 . . . . 0.0 112.291 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.08 -41.13 64.61 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t -65.1 -39.81 93.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.927 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.82 -40.81 83.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.303 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 81' ' ' MET . 62.4 tp -61.57 -45.61 93.42 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.47 -43.0 97.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.709 -1.132 . . . . 0.0 112.034 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.4 90.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.22 -43.96 95.58 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' MET . . . . . 0.62 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 97.9 mmm -61.32 -50.59 72.35 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.302 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . 47.2 mt-10 -71.75 -47.73 51.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 118.231 -1.388 . . . . 0.0 113.566 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -35.65 79.98 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG2' ' OG1' ' A' ' 19' ' ' THR . 4.6 mpt_? -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 118.176 -1.41 . . . . 0.0 113.028 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 81' ' ' MET . 1.7 mp -59.99 -40.91 84.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 82' ' ' GLU 0.285 57.9 m-85 -63.37 -53.45 52.7 Favored Pre-proline 0 C--O 1.246 0.871 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.33 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -56.23 -32.63 88.3 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.712 1.608 . . . . 0.0 112.425 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 84' ' ' ARG . 71.3 t -66.07 -52.55 47.26 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.289 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 95' ' ' LEU . 61.4 mtm -66.62 -37.93 85.89 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.529 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -64.64 -26.96 68.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.142 0.496 . . . . 0.0 110.714 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -71.92 -22.08 61.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 9' ' ' ALA . 49.9 mt -68.51 114.54 22.6 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.42 -34.44 94.53 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.13 2.554 . . . . 0.0 112.761 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.7 91.51 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.672 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 89' ' ' MET . 29.7 mt -63.86 -36.18 83.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.676 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 m -67.58 -33.9 75.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.8 -45.92 66.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.924 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 58' ' ' TRP . 3.9 mm? -78.69 -50.4 11.48 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 102' ' ' MET . 18.7 pt -127.0 153.18 35.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -61.91 -45.08 95.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.928 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -146.64 151.87 37.96 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' MET . . . . . 0.419 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.96 126.32 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.341 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.82 131.6 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.608 0.718 . . . . 0.0 111.649 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 125' ' ' TYR . . . -69.39 150.52 47.2 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.358 -173.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' SER . . . . . 0.703 ' HB2' ' O ' ' A' ' 124' ' ' THR . 18.9 m -136.85 -176.35 4.33 Favored 'General case' 0 N--CA 1.407 -2.599 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 152.81 51.48 Favored Glycine 0 C--O 1.265 2.066 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 -169.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 96.4 m-85 -108.66 135.51 49.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.56 143.81 45.87 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.88 125.03 52.37 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.941 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 120' ' ' SER . 85.5 mtt180 -136.65 162.3 33.54 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.925 0.869 . . . . 0.0 113.073 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ARG . . . . . 0.541 ' NE ' ' HA ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -158.13 112.71 2.59 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 160.703 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.58 18.65 1.5 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 115.408 -2.517 . . . . 0.0 115.122 -170.287 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -89.22 -61.51 1.69 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 115.938 -2.305 . . . . 0.0 113.784 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -97.23 -74.0 0.59 Allowed 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.69 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.77 -43.77 3.25 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.026 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLY . . . . . 0.46 ' HA2' ' HB3' ' A' ' 111' ' ' ARG . . . 96.27 8.08 57.88 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.23 169.41 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 34.3 tp -79.92 8.88 6.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.815 0.817 . . . . 0.0 111.503 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TRP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 111' ' ' ARG . 74.2 m95 -102.19 -170.87 1.87 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -173.581 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.7 m -120.68 128.59 53.11 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.359 1.436 . . . . 0.0 111.397 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.538 ' HB2' ' O ' ' A' ' 110' ' ' ARG . 23.8 m -139.82 144.84 37.51 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 172.745 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 81' ' ' MET . . . -116.62 122.18 43.87 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.84 113.17 26.13 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 123.907 0.755 . . . . 0.0 108.997 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' A' ' 107' ' ' TYR . 2.6 tt -109.44 132.33 54.23 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' SER . 87.2 m -116.58 133.55 55.88 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' TYR . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -124.67 128.83 49.42 Favored 'General case' 0 CA--C 1.492 -1.269 0 C-N-CA 123.18 0.592 . . . . 0.0 109.743 174.553 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.87 127.15 66.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.94 138.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 60.5 m 69.91 26.51 4.69 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 123.511 1.624 . . . . 0.0 108.347 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.46 -44.02 93.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.933 -1.94 . . . . 0.0 109.103 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 174.709 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 68.7 mttm . . . . . 0 CA--C 1.508 -0.653 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' HIS . . . . . 0.567 ' NE2' ' HA ' ' A' ' 52' ' ' GLU . 77.4 m80 -90.9 76.72 6.26 Favored 'General case' 0 CA--C 1.499 -1.012 0 N-CA-C 105.461 -2.052 . . . . 0.0 105.461 169.517 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -105.76 -8.23 17.92 Favored 'General case' 0 C--N 1.298 -1.631 0 C-N-CA 119.534 -0.866 . . . . 0.0 110.682 -172.329 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.435 ' CD ' ' H ' ' A' ' 5' ' ' GLU . 2.0 mp0 -63.0 -38.51 91.47 Favored 'General case' 0 C--N 1.316 -0.888 0 N-CA-C 107.811 -1.181 . . . . 0.0 107.811 177.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.53 ' O ' HG12 ' A' ' 10' ' ' VAL . 2.9 pp -65.11 -37.98 89.2 Favored 'General case' 0 CA--C 1.498 -1.02 0 CA-C-N 115.227 -0.897 . . . . 0.0 112.417 177.313 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . 0.526 ' N ' HD12 ' A' ' 6' ' ' LEU . 22.1 ttm-85 -60.85 -41.68 96.33 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 124.104 0.878 . . . . 0.0 109.327 -178.071 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.75 -43.87 91.93 Favored 'General case' 0 N--CA 1.438 -1.072 0 CA-C-N 115.274 -0.875 . . . . 0.0 111.652 -178.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.433 ' HB1' HG23 ' A' ' 92' ' ' ILE . . . -66.27 -50.91 62.11 Favored 'General case' 0 C--O 1.245 0.857 0 O-C-N 123.705 0.628 . . . . 0.0 111.443 -178.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.53 HG12 ' O ' ' A' ' 6' ' ' LEU . 8.7 p -65.65 -38.41 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.064 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.126 -178.84 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 46.1 tp -63.89 -39.44 94.19 Favored 'General case' 0 N--CA 1.461 0.108 0 CA-C-O 120.701 0.286 . . . . 0.0 111.353 178.264 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.73 -45.26 93.53 Favored 'General case' 0 C--O 1.244 0.795 0 CA-C-O 121.288 0.566 . . . . 0.0 110.354 179.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -65.18 -40.14 93.86 Favored 'General case' 0 C--O 1.242 0.678 0 CA-C-N 115.271 -0.877 . . . . 0.0 110.767 178.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 5.6 tt -57.79 -45.5 85.94 Favored 'General case' 0 C--O 1.244 0.79 0 C-N-CA 124.281 1.033 . . . . 0.0 110.872 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLU . . . . . . . . . . . . . 10.9 tp10 -62.94 -43.62 98.3 Favored 'General case' 0 C--N 1.312 -1.023 0 CA-C-N 114.942 -1.026 . . . . 0.0 110.056 -177.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -75.04 -45.83 39.0 Favored 'General case' 0 C--N 1.302 -1.461 0 N-CA-C 114.638 1.347 . . . . 0.0 114.638 -178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' HIS . . . . . . . . . . . . 0.283 17.5 m80 -106.54 -13.75 15.24 Favored 'General case' 0 C--N 1.312 -1.038 0 N-CA-C 119.51 3.152 . . . . 0.0 119.51 -171.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -85.13 156.59 20.97 Favored 'General case' 0 C--N 1.305 -1.33 0 C-N-CA 117.147 -1.821 . . . . 0.0 113.408 -178.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.537 ' OG1' ' HG2' ' A' ' 84' ' ' ARG 0.265 4.4 m -45.0 -41.61 7.54 Favored 'General case' 0 N--CA 1.435 -1.194 0 C-N-CA 129.168 2.987 . . . . 0.0 109.683 175.512 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.587 ' HA2' ' CZ ' ' A' ' 23' ' ' PHE . . . 84.13 29.74 30.23 Favored Glycine 0 N--CA 1.435 -1.426 0 C-N-CA 120.863 -0.684 . . . . 0.0 113.255 176.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -78.6 -62.44 1.69 Allowed 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 119.703 -0.799 . . . . 0.0 111.44 -178.144 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 63.2 m -151.89 130.57 12.33 Favored 'General case' 0 C--N 1.315 -0.918 0 N-CA-C 108.031 -1.1 . . . . 0.0 108.031 175.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PHE . . . . . 0.587 ' CZ ' ' HA2' ' A' ' 20' ' ' GLY . 90.5 m-85 -117.85 142.41 47.34 Favored 'General case' 0 CA--C 1.486 -1.516 0 CA-C-N 118.069 0.395 . . . . 0.0 111.857 -179.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PHE . . . . . 0.413 ' HB2' ' HB2' ' A' ' 40' ' ' ALA . 96.1 m-85 -120.57 133.12 55.42 Favored 'General case' 0 C--N 1.298 -1.666 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.627 170.331 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.2 t70 -60.59 -34.44 74.2 Favored 'General case' 0 N--CA 1.481 1.12 0 C-N-CA 125.211 1.404 . . . . 0.0 110.893 176.662 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -153.47 166.2 31.64 Favored Glycine 0 N--CA 1.422 -2.247 0 N-CA-C 105.819 -2.912 . . . . 0.0 105.819 174.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 63.3 ttp85 -68.33 122.48 84.48 Favored Pre-proline 0 C--N 1.306 -1.306 0 CA-C-N 119.114 1.457 . . . . 0.0 109.555 -179.259 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 56.0 Cg_endo -66.89 158.38 56.8 Favored 'Trans proline' 0 C--N 1.344 0.319 0 C-N-CA 123.647 2.898 . . . . 0.0 114.98 -174.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -94.94 38.07 1.13 Allowed 'General case' 0 C--N 1.318 -0.799 0 C-N-CA 124.225 1.01 . . . . 0.0 109.84 179.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 34.3 m -106.56 -169.02 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.3 -1.582 0 CA-C-N 115.01 -0.996 . . . . 0.0 108.325 -179.117 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 38.4 p90 -83.4 169.06 15.98 Favored 'General case' 0 C--N 1.315 -0.914 0 N-CA-C 106.055 -1.831 . . . . 0.0 106.055 -178.358 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -48.91 122.03 5.33 Favored 'General case' 0 C--N 1.353 0.759 0 O-C-N 124.309 1.005 . . . . 0.0 111.748 -166.367 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -65.22 -29.93 70.77 Favored 'General case' 0 C--O 1.206 -1.204 0 CA-C-N 113.059 -1.882 . . . . 0.0 110.279 -174.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.41 -4.95 9.24 Favored 'General case' 0 C--N 1.309 -1.164 0 CA-C-N 114.346 -1.297 . . . . 0.0 114.125 -174.598 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -60.58 -34.38 74.1 Favored 'General case' 0 C--O 1.242 0.663 0 N-CA-C 108.328 -0.99 . . . . 0.0 108.328 171.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 43.3 p90 -121.92 155.04 61.12 Favored Pre-proline 0 N--CA 1.437 -1.122 0 CA-C-N 114.622 -1.172 . . . . 0.0 109.319 179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PRO . . . . . . . . . . . . . 11.6 Cg_exo -74.49 119.52 5.79 Favored 'Trans proline' 0 C--O 1.25 1.09 0 C-N-CA 121.995 1.797 . . . . 0.0 111.592 177.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -152.7 160.01 43.16 Favored 'General case' 0 C--N 1.317 -0.823 0 N-CA-C 110.268 -0.271 . . . . 0.0 110.268 -179.093 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.451 HG23 HG22 ' A' ' 66' ' ' VAL . 7.6 p -132.29 142.0 43.83 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.387 0 N-CA-C 109.56 -0.533 . . . . 0.0 109.56 177.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ALA . . . . . 0.413 ' HB2' ' HB2' ' A' ' 24' ' ' PHE . . . -130.9 145.48 52.03 Favored 'General case' 0 C--N 1.306 -1.305 0 N-CA-C 108.158 -1.053 . . . . 0.0 108.158 178.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 34.6 m -122.54 132.47 71.12 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.534 0 N-CA-C 108.898 -0.779 . . . . 0.0 108.898 179.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.406 ' C ' HD12 ' A' ' 43' ' ' LEU . 78.6 t80 -140.39 131.62 26.54 Favored 'General case' 0 N--CA 1.427 -1.582 0 C-N-CA 119.953 -0.699 . . . . 0.0 110.956 179.217 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.52 HD13 HG11 ' A' ' 10' ' ' VAL . 4.6 mp -115.68 145.38 42.79 Favored 'General case' 0 C--N 1.301 -1.542 0 N-CA-C 108.647 -0.872 . . . . 0.0 108.647 178.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' THR . . . . . 0.462 ' CG2' ' HB3' ' A' ' 61' ' ' GLU . 28.2 p -70.8 146.06 49.97 Favored 'General case' 0 C--N 1.297 -1.682 0 N-CA-C 113.76 1.022 . . . . 0.0 113.76 -174.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 132.97 -3.85 4.94 Favored Glycine 0 N--CA 1.432 -1.578 0 CA-C-N 114.957 -1.02 . . . . 0.0 112.28 177.557 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -107.09 -24.3 12.0 Favored 'General case' 0 C--N 1.311 -1.077 0 CA-C-O 120.844 0.354 . . . . 0.0 111.274 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.402 ' H ' ' CD ' ' A' ' 47' ' ' GLU . 1.6 mp0 -63.96 -37.95 89.29 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-O 122.274 1.035 . . . . 0.0 109.074 -177.382 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -128.0 -174.59 3.24 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 105.767 -1.938 . . . . 0.0 105.767 -175.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 33.1 p -58.36 -42.82 87.76 Favored 'General case' 0 N--CA 1.445 -0.694 0 N-CA-C 108.537 -0.912 . . . . 0.0 108.537 173.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLY . . . . . . . . . . . . . . . 74.83 3.09 66.69 Favored Glycine 0 CA--C 1.498 -0.986 0 CA-C-N 115.291 -0.868 . . . . 0.0 112.681 173.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 41.5 mm-40 48.83 97.51 0.01 OUTLIER 'General case' 0 C--O 1.238 0.494 0 C-N-CA 126.484 1.914 . . . . 0.0 111.479 -177.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.567 ' HA ' ' NE2' ' A' ' 3' ' ' HIS . 47.5 mt-10 -63.47 127.69 32.47 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-O 121.65 0.738 . . . . 0.0 111.374 -177.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LEU . . . . . . . . . . . . . 83.5 mt -112.75 134.17 54.4 Favored 'General case' 0 N--CA 1.419 -1.996 0 CA-C-N 114.901 -1.045 . . . . 0.0 109.538 -175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -105.62 12.27 31.36 Favored 'General case' 0 C--N 1.277 -2.574 0 CA-C-N 115.046 -0.979 . . . . 0.0 108.407 177.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 55.1 p -69.28 156.72 38.3 Favored 'General case' 0 N--CA 1.432 -1.363 0 CA-C-N 114.437 -1.256 . . . . 0.0 113.885 -174.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -69.72 -30.43 68.05 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 114.609 -1.178 . . . . 0.0 110.414 176.561 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' THR . . . . . . . . . . . . . 19.7 p -81.62 140.75 34.23 Favored 'General case' 0 N--CA 1.428 -1.549 0 CA-C-O 121.54 0.686 . . . . 0.0 112.773 -176.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' TRP . . . . . 0.421 ' HB3' ' CD2' ' A' ' 98' ' ' LEU . 14.8 t-105 -99.49 125.2 45.19 Favored 'General case' 0 C--N 1.299 -1.598 0 CA-C-N 114.154 -1.384 . . . . 0.0 109.424 176.481 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -146.48 132.08 18.82 Favored 'General case' 0 C--N 1.294 -1.825 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 172.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -170.29 160.97 8.03 Favored 'General case' 0 C--N 1.296 -1.754 0 N-CA-C 108.983 -0.747 . . . . 0.0 108.983 -178.49 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . 0.462 ' HB3' ' CG2' ' A' ' 44' ' ' THR . 34.3 tt0 -98.17 125.41 43.19 Favored 'General case' 0 N--CA 1.398 -3.025 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 169.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 9.3 mp -100.64 110.74 22.89 Favored 'General case' 0 C--N 1.284 -2.246 0 N-CA-C 105.568 -2.012 . . . . 0.0 105.568 175.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' HIS . . . . . . . . . . . . . 69.1 t60 -111.71 114.73 27.92 Favored 'General case' 0 N--CA 1.409 -2.501 0 N-CA-C 106.83 -1.544 . . . . 0.0 106.83 -178.567 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.447 HD13 ' H ' ' A' ' 64' ' ' ILE . 0.2 OUTLIER -115.29 130.04 70.52 Favored 'Isoleucine or valine' 0 C--N 1.261 -3.241 0 CA-C-N 115.587 -0.733 . . . . 0.0 109.612 -176.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -118.89 127.07 53.15 Favored 'General case' 0 C--N 1.31 -1.143 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.436 -178.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.451 HG22 HG23 ' A' ' 39' ' ' VAL . 94.1 t -115.24 130.39 69.87 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.235 0 N-CA-C 108.317 -0.994 . . . . 0.0 108.317 175.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -109.75 127.12 54.42 Favored 'General case' 0 C--N 1.297 -1.693 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 -174.642 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' LEU . . . . . . . . . . . . . 81.8 mt -138.85 152.91 71.39 Favored Pre-proline 0 C--O 1.257 1.472 0 O-C-N 123.282 0.364 . . . . 0.0 110.689 -179.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 86.2 Cg_exo -52.12 144.77 36.62 Favored 'Trans proline' 0 CA--C 1.546 1.085 0 C-N-CA 123.256 2.637 . . . . 0.0 113.47 178.247 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.438 ' HB2' ' HA ' ' A' ' 118' ' ' TRP . . . -53.6 -25.04 15.8 Favored 'General case' 0 N--CA 1.481 1.1 0 CA-C-N 115.254 -0.885 . . . . 0.0 112.838 176.306 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLN . . . . . . . . . . . . . 25.2 mt-30 -80.99 8.07 9.3 Favored 'General case' 0 CA--C 1.553 1.072 0 N-CA-C 112.187 0.44 . . . . 0.0 112.187 178.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 42.9 t -96.51 116.37 66.1 Favored Pre-proline 0 C--N 1.32 -0.689 0 N-CA-C 109.684 -0.487 . . . . 0.0 109.684 179.318 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_endo -68.62 159.13 54.88 Favored 'Trans proline' 0 C--O 1.254 1.309 0 C-N-CA 122.774 2.316 . . . . 0.0 112.291 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -53.08 -41.13 64.61 Favored 'General case' 0 N--CA 1.473 0.699 0 N-CA-C 113.283 0.845 . . . . 0.0 113.283 -176.554 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 28.9 t -65.1 -39.81 93.69 Favored 'General case' 0 N--CA 1.445 -0.68 0 C-N-CA 120.333 -0.547 . . . . 0.0 110.927 -175.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -67.82 -40.81 83.78 Favored 'General case' 0 N--CA 1.452 -0.347 0 C-N-CA 120.135 -0.626 . . . . 0.0 112.303 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 ' O ' ' HG2' ' A' ' 81' ' ' MET . 62.4 tp -61.57 -45.61 93.42 Favored 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 177.24 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -60.47 -43.0 97.38 Favored 'General case' 0 C--N 1.311 -1.1 0 CA-C-N 114.709 -1.132 . . . . 0.0 112.034 178.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -65.75 -42.4 90.98 Favored 'General case' 0 CA--C 1.5 -0.965 0 CA-C-N 115.568 -0.742 . . . . 0.0 111.197 -179.302 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -60.22 -43.96 95.58 Favored 'General case' 0 C--O 1.258 1.52 0 N-CA-C 107.805 -1.183 . . . . 0.0 107.805 -178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' MET . . . . . 0.62 ' O ' ' HB ' ' A' ' 85' ' ' ILE . 97.9 mmm -61.32 -50.59 72.35 Favored 'General case' 0 CA--C 1.5 -0.969 0 CA-C-N 114.228 -1.351 . . . . 0.0 111.302 -178.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLU . . . . . 0.43 ' HA ' ' HD2' ' A' ' 86' ' ' TYR . 47.2 mt-10 -71.75 -47.73 51.7 Favored 'General case' 0 N--CA 1.436 -1.136 0 C-N-CA 118.231 -1.388 . . . . 0.0 113.566 -175.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 50.9 m -62.47 -35.65 79.98 Favored 'General case' 0 N--CA 1.43 -1.429 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 -174.859 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . 0.537 ' HG2' ' OG1' ' A' ' 19' ' ' THR . 4.6 mpt_? -94.81 -52.23 4.35 Favored 'General case' 0 C--N 1.317 -0.84 0 C-N-CA 118.176 -1.41 . . . . 0.0 113.028 177.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ILE . . . . . 0.62 ' HB ' ' O ' ' A' ' 81' ' ' MET . 1.7 mp -59.99 -40.91 84.42 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.902 0 N-CA-C 114.306 1.225 . . . . 0.0 114.306 -173.272 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.43 ' HD2' ' HA ' ' A' ' 82' ' ' GLU 0.285 57.9 m-85 -63.37 -53.45 52.7 Favored Pre-proline 0 C--O 1.246 0.871 0 N-CA-C 114.144 1.164 . . . . 0.0 114.144 179.33 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 86.5 Cg_exo -56.23 -32.63 88.3 Favored 'Trans proline' 0 C--N 1.357 1.014 0 C-N-CA 121.712 1.608 . . . . 0.0 112.425 173.184 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' VAL . . . . . 0.492 HG23 ' O ' ' A' ' 84' ' ' ARG . 71.3 t -66.07 -52.55 47.26 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.661 0 C-N-CA 120.628 -0.429 . . . . 0.0 111.289 177.035 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' MET . . . . . 0.469 ' O ' HD12 ' A' ' 95' ' ' LEU . 61.4 mtm -66.62 -37.93 85.89 Favored 'General case' 0 C--N 1.323 -0.583 0 C-N-CA 119.919 -0.712 . . . . 0.0 112.529 -177.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 20.6 t -64.64 -26.96 68.62 Favored 'General case' 0 C--N 1.317 -0.831 0 CA-C-O 121.142 0.496 . . . . 0.0 110.714 178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 37.6 t0 -71.92 -22.08 61.53 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.776 -178.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.433 HG23 ' HB1' ' A' ' 9' ' ' ALA . 49.9 mt -68.51 114.54 22.6 Favored Pre-proline 0 C--O 1.237 0.413 0 N-CA-C 108.805 -0.813 . . . . 0.0 108.805 179.551 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 50.3 Cg_exo -56.42 -34.44 94.53 Favored 'Trans proline' 0 C--N 1.356 0.935 0 C-N-CA 123.13 2.554 . . . . 0.0 112.761 -176.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ALA . . . . . . . . . . . . . . . -61.33 -39.7 91.51 Favored 'General case' 0 N--CA 1.444 -0.762 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.672 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.469 HD12 ' O ' ' A' ' 89' ' ' MET . 29.7 mt -63.86 -36.18 83.06 Favored 'General case' 0 CA--C 1.508 -0.666 0 C-N-CA 120.14 -0.624 . . . . 0.0 110.676 179.574 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 19.0 m -67.58 -33.9 75.94 Favored 'General case' 0 N--CA 1.436 -1.16 0 CA-C-O 121.345 0.593 . . . . 0.0 110.347 178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -69.8 -45.92 66.85 Favored 'General case' 0 N--CA 1.448 -0.561 0 CA-C-N 115.611 -0.722 . . . . 0.0 110.924 -178.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD2' ' HB3' ' A' ' 58' ' ' TRP . 3.9 mm? -78.69 -50.4 11.48 Favored 'General case' 0 C--N 1.312 -1.058 0 N-CA-C 114.094 1.146 . . . . 0.0 114.094 -176.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 102' ' ' MET . 18.7 pt -127.0 153.18 35.85 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 N-CA-C 113.371 0.878 . . . . 0.0 113.371 -171.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 28.1 m -61.91 -45.08 95.28 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.928 179.573 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' SER . . . . . . . . . . . . . 22.7 t -146.64 151.87 37.96 Favored 'General case' 0 N--CA 1.426 -1.646 0 N-CA-C 106.667 -1.605 . . . . 0.0 106.667 178.682 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' MET . . . . . 0.419 ' HA ' ' CD1' ' A' ' 99' ' ' ILE . 0.0 OUTLIER -67.96 126.32 29.1 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 109.811 -0.44 . . . . 0.0 109.811 179.341 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.5 p -90.82 131.6 37.56 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-O 121.608 0.718 . . . . 0.0 111.649 -175.077 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.605 ' HA ' ' CZ ' ' A' ' 125' ' ' TYR . . . -69.39 150.52 47.2 Favored 'General case' 0 C--N 1.315 -0.933 0 CA-C-N 114.635 -1.166 . . . . 0.0 113.358 -173.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' SER . . . . . 0.703 ' HB2' ' O ' ' A' ' 124' ' ' THR . 18.9 m -136.85 -176.35 4.33 Favored 'General case' 0 N--CA 1.407 -2.599 0 N-CA-C 105.171 -2.159 . . . . 0.0 105.171 176.387 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.13 152.81 51.48 Favored Glycine 0 C--O 1.265 2.066 0 N-CA-C 115.626 1.01 . . . . 0.0 115.626 -169.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' CD2' ' HG ' ' A' ' 123' ' ' LEU . 96.4 m-85 -108.66 135.51 49.79 Favored 'General case' 0 C--N 1.321 -0.639 0 N-CA-C 106.987 -1.486 . . . . 0.0 106.987 174.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.56 143.81 45.87 Favored 'General case' 0 C--N 1.298 -1.645 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 177.113 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' TYR . . . . . . . . . . . . . 81.9 m-85 -109.88 125.03 52.37 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 119.6 -0.84 . . . . 0.0 108.941 179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ARG . . . . . 0.538 ' O ' ' HB2' ' A' ' 120' ' ' SER . 85.5 mtt180 -136.65 162.3 33.54 Favored 'General case' 0 C--N 1.294 -1.815 0 CA-C-O 121.925 0.869 . . . . 0.0 113.073 -173.074 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ARG . . . . . 0.541 ' NE ' ' HA ' ' A' ' 111' ' ' ARG . 0.0 OUTLIER -158.13 112.71 2.59 Favored 'General case' 0 C--N 1.277 -2.583 0 N-CA-C 102.716 -3.068 . . . . 0.0 102.716 160.703 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -145.58 18.65 1.5 Allowed 'General case' 0 C--N 1.303 -1.421 0 C-N-CA 115.408 -2.517 . . . . 0.0 115.122 -170.287 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -89.22 -61.51 1.69 Allowed 'General case' 0 C--O 1.24 0.569 0 C-N-CA 115.938 -2.305 . . . . 0.0 113.784 176.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 29.1 t70 -97.23 -74.0 0.59 Allowed 'General case' 0 CA--C 1.504 -0.819 0 C-N-CA 119.167 -1.013 . . . . 0.0 112.69 -172.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ALA . . . . . . . . . . . . . . . -113.77 -43.77 3.25 Favored 'General case' 0 CA--C 1.5 -0.953 0 C-N-CA 119.305 -0.958 . . . . 0.0 109.026 177.463 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLY . . . . . 0.46 ' HA2' ' HB3' ' A' ' 111' ' ' ARG . . . 96.27 8.08 57.88 Favored Glycine 0 N--CA 1.436 -1.305 0 C-N-CA 120.301 -0.952 . . . . 0.0 113.23 169.41 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' LEU . . . . . 0.419 ' HG ' ' O ' ' A' ' 117' ' ' LEU . 34.3 tp -79.92 8.88 6.06 Favored 'General case' 0 N--CA 1.484 1.256 0 CA-C-O 121.815 0.817 . . . . 0.0 111.503 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TRP . . . . . 0.462 ' HB2' ' HG3' ' A' ' 111' ' ' ARG . 74.2 m95 -102.19 -170.87 1.87 Allowed 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 107.864 -1.161 . . . . 0.0 107.864 -173.581 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 50.7 m -120.68 128.59 53.11 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 120.359 1.436 . . . . 0.0 111.397 -176.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.538 ' HB2' ' O ' ' A' ' 110' ' ' ARG . 23.8 m -139.82 144.84 37.51 Favored 'General case' 0 C--N 1.307 -1.277 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 172.745 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' HB3' ' SD ' ' A' ' 81' ' ' MET . . . -116.62 122.18 43.87 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 178.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -101.84 113.17 26.13 Favored 'General case' 0 C--N 1.302 -1.457 0 O-C-N 123.907 0.755 . . . . 0.0 108.997 178.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' LEU . . . . . 0.446 ' HG ' ' CD2' ' A' ' 107' ' ' TYR . 2.6 tt -109.44 132.33 54.23 Favored 'General case' 0 C--N 1.281 -2.385 0 N-CA-C 105.45 -2.056 . . . . 0.0 105.45 176.539 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.703 ' O ' ' HB2' ' A' ' 105' ' ' SER . 87.2 m -116.58 133.55 55.88 Favored 'General case' 0 N--CA 1.426 -1.639 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.083 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' TYR . . . . . 0.605 ' CZ ' ' HA ' ' A' ' 104' ' ' ALA . 0.6 OUTLIER -124.67 128.83 49.42 Favored 'General case' 0 CA--C 1.492 -1.269 0 C-N-CA 123.18 0.592 . . . . 0.0 109.743 174.553 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' VAL . . . . . . . . . . . . . 46.1 t -109.87 127.15 66.94 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.465 0 N-CA-C 107.126 -1.435 . . . . 0.0 107.126 176.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ILE . . . . . . . . . . . . . 42.1 mm -103.94 138.42 28.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.744 0 N-CA-C 108.903 -0.776 . . . . 0.0 108.903 -176.502 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' THR . . . . . . . . . . . . . 60.5 m 69.91 26.51 4.69 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-O 123.511 1.624 . . . . 0.0 108.347 -175.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' TYR . . . . . . . . . . . . . 85.7 t80 -59.46 -44.02 93.08 Favored 'General case' 0 N--CA 1.453 -0.293 0 CA-C-N 112.933 -1.94 . . . . 0.0 109.103 175.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 . . . . . 0 C--O 1.251 1.154 0 N-CA-C 107.358 -1.349 . . . . 0.0 107.358 174.709 . . . . . . . . 0 0 . 1 stop_ save_